Smart Solutions™ v59 PharmaVetResiMix Kit 1
Product Code
DRE-K30000030
CAS Number
59 AnalytesProduct Format
Mixture
Solvent
Methanol
Product Categories
Dr. Ehrenstorfer, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials
Product Type
Native/ParentDocumentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Pefloxacin methane sulfonate dihydrate
10.0 µg/mL
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CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
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IUPAC
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Abamectin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C48H72O14
Molecular Weight
873.08
Accurate Mass
872.49
SMILES
C/C([C@@H](O[C@]1(C[C@@H]([C@H]([C@@H](O1)C)O[C@]2(C[C@@H]([C@H]([C@@H](O2)C)O)OC)[H])OC)[H])[C@H](/C=C/C=C3CO[C@]4([C@@]\3([C@@]([H])(C=C([C@H]4O)C)C(O[C@H](C[C@]5(O6)O[C@]([C@@]([H])(C)CC)([C@H](C=C5)C)[H])C7)=O)O)[H])C)=C\C[C@]76[H]
InChI
InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
IUPAC
(2S,2a'E,2a1'S,4'E,5S,6R,6'S,7'S,8'E,11'R,15'S,17a'R,20'R,20a'R)-6-((S)-sec-butyl)-2a1',20'-dihydroxy-7'-(((2R,4S,5S,6S)-5-(((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,6',8',19'-tetramethyl-2a1',5,6,6',7',10',11',14',15',17a',20',20a'-dodecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17'-one
Albendazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 N3 O2 S
Molecular Weight
265.33
Accurate Mass
265.0885
SMILES
CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1
InChI
InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
IUPAC
methyl N-(5-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
Albendazole sulfone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 N3 O4 S
Molecular Weight
297.33
Accurate Mass
297.0783
SMILES
CCCS(=O)(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1
InChI
InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
IUPAC
methyl N-(5-propylsulfonyl-1H-benzimidazol-2-yl)carbamate
Albendazole sulfoxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 N3 O3 S
Molecular Weight
281.33
Accurate Mass
281.0834
SMILES
CCCS(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1
InChI
InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
IUPAC
methyl N-(5-propylsulfinyl-1H-benzimidazol-2-yl)carbamate
Albendazole-2-aminosulfone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H13 N3 O2 S
Molecular Weight
239.29
Accurate Mass
239.0728
SMILES
CCCS(=O)(=O)c1ccc2[nH]c(N)nc2c1
InChI
InChI=1S/C10H13N3O2S/c1-2-5-16(14,15)7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)
IUPAC
5-propylsulfonyl-1H-benzimidazol-2-amine
Cinoxacin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H10 N2 O5
Molecular Weight
262.22
Accurate Mass
262.059
SMILES
CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12
InChI
InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
IUPAC
1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid
Ciprofloxacin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H18 F N3 O3
Molecular Weight
331.34
Accurate Mass
331.1332
SMILES
OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O
InChI
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
IUPAC
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Danofloxacin mesylate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H20 F N3 O3 . C H4 O3 S
Molecular Weight
453.48
Accurate Mass
453.137
SMILES
CN1C[C@@H]2C[C@H]1CN2c3cc4N(C=C(C(=O)O)C(=O)c4cc3F)C5CC5.CS(=O)(=O)O
InChI
InChI=1S/C19H20FN3O3.CH4O3S/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10;1-5(2,3)4/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26);1H3,(H,2,3,4)/t11-,12-;/m0./s1
IUPAC
1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
Dapsone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H12 N2 O2 S
Molecular Weight
248.30
Accurate Mass
248.0619
SMILES
Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2
InChI
InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
IUPAC
4-(4-aminophenyl)sulfonylaniline
Difloxacin hydrochloride
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C21 H19 F2 N3 O3 . Cl H
Molecular Weight
435.85
Accurate Mass
435.1161
SMILES
Cl.CN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4
InChI
InChI=1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H
IUPAC
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
Doramectin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C50 H74 O14
Molecular Weight
899.11
Accurate Mass
898.5079
SMILES
CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(C6)O[C@H](C8CCCCC8)[C@@H](C)C=C7)[C@]45O)C)O[C@@H](C)[C@@H]1O
InChI
InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1
Emamectin benzoate
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C49 H75 N O13 . C48 H73 N O13 . 2 C7 H6 O2
Molecular Weight
2002.45
Accurate Mass
2001.1056
SMILES
CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C.CN[C@@H]8[C@H](C)O[C@H](C[C@@H]8OC)O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]%10[C@@H](C)\C=C\C=C\%11/CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\C=C\%10/C)O[C@@]%14(C%13)O[C@H](C(C)C)[C@@H](C)C=C%14)[C@]%11%12O)C.OC(=O)c%15ccccc%15.OC(=O)c%16ccccc%16
InChI
InChI=1S/C49H75NO13.C48H73NO13.2C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;1-25(2)42-28(5)17-18-47(62-42)23-34-20-33(61-47)16-15-27(4)43(26(3)13-12-14-32-24-55-45-41(50)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-11)44(31(8)57-39)60-38-21-36(53-10)40(49-9)30(7)56-38;2*8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;12-15,17-19,25-26,28,30-31,33-45,49-50,52H,16,20-24H2,1-11H3;2*1-5H,(H,8,9)/b14-13+,28-16+,33-15+;13-12+,27-15+,32-14+;;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,48+,49+;26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45+,47+,48+;;/m00../s1
Enoxacin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H17 F N4 O3
Molecular Weight
320.32
Accurate Mass
320.1285
SMILES
CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3
InChI
InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)
IUPAC
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Enrofloxacin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H22 F N3 O3
Molecular Weight
359.39
Accurate Mass
359.1645
SMILES
CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4
InChI
InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
IUPAC
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Eprinomectin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C50 H75 N O14 . C49 H73 N O14
Molecular Weight
1814.23
Accurate Mass
1813.0219
SMILES
CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(=O)C)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C.CO[C@H]8C[C@H](O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]%10[C@@H](C)\C=C\C=C\%11/CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\C=C\%10/C)O[C@@]%14(C%13)O[C@H](C(C)C)[C@@H](C)C=C%14)[C@]%11%12O)C)O[C@@H](C)[C@H]8NC(=O)C
InChI
InChI=1S/C50H75NO14.C49H73NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52;1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52);12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b14-13+,28-16+,34-15+;13-12+,27-15+,33-14+/t26-,27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,49+,50+;26-,28-,30-,31-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46+,48+,49+/m00/s1
Febantel
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H22 N4 O6 S
Molecular Weight
446.48
Accurate Mass
446.126
SMILES
COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)OC)NC(=O)OC
InChI
InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)
IUPAC
methyl N-[N'-[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylphenyl]-N-methoxycarbonylcarbamimidoyl]carbamate
Fenbendazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H13 N3 O2 S
Molecular Weight
299.35
Accurate Mass
299.0728
SMILES
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1
InChI
InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
IUPAC
methyl N-(5-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
Fleroxacin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H18 F3 N3 O3
Molecular Weight
369.34
Accurate Mass
369.13
SMILES
CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O
InChI
InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)
IUPAC
6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Flubendazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H12 F N3 O3
Molecular Weight
313.28
Accurate Mass
313.0863
SMILES
COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(F)cc3
InChI
InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
IUPAC
methyl N-[5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate
Flumequine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H12 F N O3
Molecular Weight
261.25
Accurate Mass
261.0801
SMILES
CC1CCc2cc(F)cc3C(=O)C(=CN1c23)C(=O)O
InChI
InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
IUPAC
(RS)-9-Fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid
Ivermectin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C48 H74 O14 . C47 H72 O14
Molecular Weight
1736.16
Accurate Mass
1735.0001
SMILES
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2.CO[C@H]8C[C@H](O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]%10[C@@H](C)\C=C\C=C\%11/CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\C=C\%10/C)O[C@@]%14(CC[C@H](C)[C@H](O%14)C(C)C)C%13)[C@]%11%12O)C)O[C@@H](C)[C@@H]8O
InChI
InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1
IUPAC
Ivermectin
Lomefloxacin hydrochloride
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C17 H19 F2 N3 O3 . Cl H
Molecular Weight
387.81
Accurate Mass
387.1161
SMILES
Cl.CCN1C=C(C(=O)O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12
InChI
InChI=1S/C17H19F2N3O3.ClH/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1H
IUPAC
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
Marbofloxacin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H19 F N4 O4
Molecular Weight
362.36
Accurate Mass
362.139
SMILES
CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4N(C)COc2c34)C(=O)O
InChI
InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)
IUPAC
9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid
Mebendazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H13 N3 O3
Molecular Weight
295.29
Accurate Mass
295.0957
SMILES
COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3
InChI
InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
IUPAC
methyl N-(5-benzoyl-1H-benzimidazol-2-yl)carbamate
Moxidectin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C37 H53 N O8
Molecular Weight
639.82
Accurate Mass
639.3771
SMILES
CO\N=C\1/C[C@]2(C[C@@H]3C[C@@H](C\C=C(/C)\C[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O3)[C@]45O)C)O2)O[C@@H]([C@H]1C)\C(=C\C(C)C)\C
InChI
InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1
IUPAC
(2aE,2'R,4E,4'E,5'S,6R,6'S,8E,11R,15S,17aR,20R,20aR,20bS)-6'-[(1E)-1,3-Dimethylbut-1-enyl]-20,20b-dihydroxy-4'-(methoxyimino)-5',6,8,19-tetramethyl-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetradecahydrospiro[2H,17H-11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-17-one
N-Acetyl Sulfamethazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H16 N4 O3 S
Molecular Weight
320.37
Accurate Mass
320.0943
SMILES
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2
InChI
InChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
IUPAC
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
Nalidixic acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H12 N2 O3
Molecular Weight
232.24
Accurate Mass
232.0848
SMILES
CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12
InChI
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
IUPAC
1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Netobimin Sodium Salt
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C14 H19 N4 O7 S2 . Na
Molecular Weight
442.44
Accurate Mass
442.0593
SMILES
[Na+].CCCSc1ccc(c(c1)\N=C(\NCCS(=O)(=O)[O-])/NC(=O)OC)[N+](=O)[O-]
InChI
+1/p-1
IUPAC
sodium;2-[[(Z)-N-methoxycarbonyl-N'-(2-nitro-5-propylsulfanylphenyl)carbamimidoyl]amino]ethanesulfonate
Norfloxacin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H18 F N3 O3
Molecular Weight
319.33
Accurate Mass
319.1332
SMILES
CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCNCC3
InChI
InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
IUPAC
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Ofloxacin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H20 F N3 O4
Molecular Weight
361.37
Accurate Mass
361.1438
SMILES
CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
InChI
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
IUPAC
9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
Oxfendazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H13 N3 O3 S
Molecular Weight
315.35
Accurate Mass
315.0678
SMILES
COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)c3ccccc3
InChI
InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
IUPAC
methyl N-[5-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate
Oxibendazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 N3 O3
Molecular Weight
249.27
Accurate Mass
249.1113
SMILES
CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1
InChI
InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
IUPAC
methyl N-(5-propoxy-1H-benzimidazol-2-yl)carbamate
Oxolinic acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H11 N O5
Molecular Weight
261.23
Accurate Mass
261.0637
SMILES
CCN1C=C(C(=O)O)C(=O)c2cc3OCOc3cc12
InChI
InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
IUPAC
5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
Pefloxacin methane sulfonate dihydrate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H20 F N3 O3 . C H4 O3 S . 2 H2 O
Molecular Weight
465.49
Accurate Mass
465.1581
SMILES
O.O.CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3.CS(=O)(=O)O
InChI
InChI=1S/C17H20FN3O3.CH4O3S.2H2O/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4;;/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4);2*1H2
IUPAC
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid;dihydrate
Pipemidic acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H17 N5 O3
Molecular Weight
303.32
Accurate Mass
303.1331
SMILES
CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3
InChI
InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)
IUPAC
8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
Piromidic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H16 N4 O3
Molecular Weight
288.30
Accurate Mass
288.1222
SMILES
CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCCC3
InChI
InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)
IUPAC
8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
Sarafloxacin hydrochloride
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C20 H17 F2 N3 O3 . Cl H
Molecular Weight
421.82
Accurate Mass
421.1005
SMILES
Cl.OC(=O)C1=CN(c2ccc(F)cc2)c3cc(N4CCNCC4)c(F)cc3C1=O
InChI
InChI=1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H
IUPAC
6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
Sulfabenzamide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H12 N2 O3 S
Molecular Weight
276.31
Accurate Mass
276.0569
SMILES
Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2
InChI
InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
IUPAC
N-(4-aminophenyl)sulfonylbenzamide
Sulfachloropyridazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H9 Cl N4 O2 S
Molecular Weight
284.72
Accurate Mass
284.0135
SMILES
Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)nn2
InChI
InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
IUPAC
4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide
Sulfadiazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H10 N4 O2 S
Molecular Weight
250.28
Accurate Mass
250.0524
SMILES
Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2
InChI
InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
IUPAC
4-amino-N-pyrimidin-2-ylbenzenesulfonamide
Sulfadimethoxine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14 N4 O4 S
Molecular Weight
310.33
Accurate Mass
310.0736
SMILES
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
InChI
InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
IUPAC
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Sulfadimidine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14 N4 O2 S
Molecular Weight
278.33
Accurate Mass
278.0837
SMILES
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
InChI
InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
IUPAC
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Sulfadoxine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14 N4 O4 S
Molecular Weight
310.33
Accurate Mass
310.0736
SMILES
COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
InChI
InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
IUPAC
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Sulfaguanidine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H10 N4 O2 S
Molecular Weight
214.24
Accurate Mass
214.0524
SMILES
NC(=N)NS(=O)(=O)c1ccc(N)cc1
InChI
InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
IUPAC
1-(4-aminophenyl)sulfonylguanidine
Sulfamerazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H12 N4 O2 S
Molecular Weight
264.30
Accurate Mass
264.0681
SMILES
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
InChI
InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
IUPAC
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Sulfameter
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H12 N4 O3 S
Molecular Weight
280.30
Accurate Mass
280.063
SMILES
COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1
InChI
InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
IUPAC
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
Sulfamethizole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10 N4 O2 S2
Molecular Weight
270.3313
Accurate Mass
270.0245
SMILES
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChI
InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
IUPAC
4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Sulfamethoxazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H11 N3 O3 S
Molecular Weight
253.28
Accurate Mass
253.0521
SMILES
Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1
InChI
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
IUPAC
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Sulfamethoxypyridazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H12 N4 O3 S
Molecular Weight
280.30
Accurate Mass
280.063
SMILES
COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
InChI
InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
IUPAC
4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
Sulfamonomethoxine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H12 N4 O3 S
Molecular Weight
280.30
Accurate Mass
280.063
SMILES
COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1
InChI
InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)
IUPAC
4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
Sulfamoxol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H13 N3 O3 S
Molecular Weight
267.30
Accurate Mass
267.0678
SMILES
Cc1oc(NS(=O)(=O)c2ccc(N)cc2)nc1C
InChI
InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)
IUPAC
4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide
Sulfanilamide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H8 N2 O2 S
Molecular Weight
172.20
Accurate Mass
172.0306
SMILES
Nc1ccc(cc1)S(=O)(=O)N
InChI
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
IUPAC
4-aminobenzenesulfonamide
Sulfapyridine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H11 N3 O2 S
Molecular Weight
249.29
Accurate Mass
249.288
SMILES
Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2
InChI
InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
IUPAC
4-amino-N-(2-pyridyl)benzenesulfonamide
Sulfaquinoxaline
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H12 N4 O2 S
Molecular Weight
300.34
Accurate Mass
300.0681
SMILES
Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2
InChI
InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)
IUPAC
4-amino-N-quinoxalin-2-ylbenzenesulfonamide
Sulfathiazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H9 N3 O2 S2
Molecular Weight
255.32
Accurate Mass
255.0136
SMILES
Nc1ccc(cc1)S(=O)(=O)Nc2nccs2
InChI
InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
IUPAC
4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
Sulfisomidine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14 N4 O2 S
Molecular Weight
278.33
Accurate Mass
278.0837
SMILES
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
InChI
InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
IUPAC
4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
Thiabendazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H7 N3 S
Molecular Weight
201.25
Accurate Mass
201.0361
SMILES
c1ccc2[nH]c(nc2c1)c3cscn3
InChI
InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
IUPAC
4-(1H-benzimidazol-2-yl)-1,3-thiazole
Thiabendazole-5-hydroxy
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H7 N3 O S
Molecular Weight
217.25
Accurate Mass
217.031
SMILES
Oc1ccc2[nH]c(nc2c1)c3cscn3
InChI
InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)
IUPAC
2-(1,3-thiazol-4-yl)-1H-benzimidazol-5-ol
Triclabendazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H9 Cl3 N2 O S
Molecular Weight
359.66
Accurate Mass
357.9501
SMILES
CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1
InChI
InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
IUPAC
5-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole
Product Data
Storage Temperature
-18°C
Shipping Temperature
-18°C
Country of Origin
GERMANY
Product Format
Mixture
Solvent
Methanol
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