Cloxacillin Benzathine (2:1)

Analyte Name

Cloxacillin Benzathine

CAS Number

23736-58-5

Molecular Formula

2 C19 H18 Cl N3 O5 S . C16 H20 N2

Molecular Weight

1112.11

Accurate Mass

1110.2938

SMILES

Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O.Cc5onc(c6ccccc6Cl)c5C(=O)N[C@H]7[C@H]8SC(C)(C)[C@@H](N8C7=O)C(=O)O.C(CNCc9ccccc9)NCc%10ccccc%10

InChI

InChI=1S/2C19H18ClN3O5S.C16H20N2/c2*1-8-11(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;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);1-10,17-18H,11-14H2/t2*13-,14+,17-;/m11./s1

IUPAC

(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-carboxylic acid;N,N'-dibenzylethane-1,2-diamine

Alternate CAS Number

Free base: 61-72-3

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Cloxacillin Sodium

Purity

>95% (HPLC)