Demeclocycline Hydrochloride
Product Code
TRC-D230725
CAS Number
EP Description
Chlortetracycline Hydrochloride Impurity B as Hydrochloride
Product Format
Neat
Molecular Formula
C21 H21 Cl N2 O8 . Cl H
Molecular Weight
501.31
Product Categories
TRC, API Reference Standards & Research Materials, Tetracyclines, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical Toxicology Reference Materials
Alternate CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Demeclocycline Hydrochloride
CAS Number
64-73-3
Molecular Formula
C21 H21 Cl N2 O8 . Cl H
Molecular Weight
501.31
Accurate Mass
500.0753
SMILES
Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N
InChI
InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1
IUPAC
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
Alternate CAS Number
Free base: 127-33-3; Hydrochloride hydrate: 1316759-42-8
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API; Impurity
Product Format
Neat
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