Product Code
TRC-N888500
CAS Number
Product Format
Neat
Molecular Formula
C31 H35 N2 O11 . Na
Molecular Weight
634.61
API Family
Novobiocin SodiumProduct Categories
TRC, DNA Topoisomerases, Other antibacterials, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials
Product Type
APIAlternate CAS Number
Purity
>95% (HPLC)
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Analyte Name
Novobiocin sodium
CAS Number
1476-53-5
Molecular Formula
C31 H35 N2 O11 . Na
Molecular Weight
634.61
Accurate Mass
634.2139
SMILES
[Na+].CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)[O-])OC1(C)C
InChI
InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1
IUPAC
sodium;7-[(2R,3R,4S,5R)-4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-4-olate
Alternate CAS Number
Free acid: 303-81-1
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
API Family
Purity
>95% (HPLC)
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