(6R,7S)-Cefoperazone Sodium Salt

Analyte Name

(6R,7S)-Cefoperazone Sodium Salt

Molecular Formula

C25 H26 N9 O8 S2 . Na

Molecular Weight

667.6492

Accurate Mass

667.1243

SMILES

[Na+].CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3SCC(=C(N3C2=O)C(=O)[O-])CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O

InChI

InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16+,22-;/m1./s1

IUPAC

sodium;(6R,7S)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Alternate CAS Number

Free acid: 1315481-36-7

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Cefoperazone

Purity

>95% (HPLC)