Analyte Name

Cloxacillin Thiol Carboxylate Benzathine Salt

CAS Number

5230-02-4

Molecular Formula

C19 H18 Cl N3 O4 S2 . C16 H20 N2

Molecular Weight

692.29

Accurate Mass

691.205

SMILES

Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)S.C(CNCc5ccccc5)NCc6ccccc6

InChI

InChI=1S/C19H18ClN3O4S2.C16H20N2/c1-8-11(12(22-27-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)28)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/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,28);1-10,17-18H,11-14H2/t13-,14+,17-;/m1./s1

IUPAC

(2R,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-carbothioic S-acid;N,N'-dibenzylethane-1,2-diamine

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat