Cloxacillin Sodium Salt
Product Code
TRC-C587460
CAS Number
Product Format
Neat
Molecular Formula
C19 H17 Cl N3 O5 S . Na
Molecular Weight
457.86
Product Categories
Penicillins, TRC, Pharmaceutical Toxicology Reference Materials
Product Type
APIAlternate CAS Number
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Cloxacillin Sodium
CAS Number
642-78-4
Molecular Formula
C19 H17 Cl N3 O5 S . Na
Molecular Weight
457.86
Accurate Mass
457.0475
SMILES
[Na+].Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)[O-]
InChI
InChI=1S/C19H18ClN3O5S.Na/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);/q;+1/p-1/t13-,14+,17-;/m1./s1
IUPAC
sodium;(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Alternate CAS Number
Free acid: 61-72-3
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)