Products 711598-76-4

CAS 711598-76-4 appears in our catalog under these names: Cefoperazone EP Impurity B, Cefoperazone Impurity 2（Cefoperazone EP Impurity B）. Offered by: Chemat Brand, Hubei YoungXin. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

Cefoperazone EP Impurity B
Chemat Brand
  • size: on request
  • Variants: 2
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Cefoperazone Impurity 2（Cefoperazone EP Impurity B）
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(4-methyl-5-sulfanylidenetetrazol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 711598-76-4) is a chemical compound with the molecular formula C25H27N9O8S2 and a molecular weight of 645.7 g/mol. IUPAC name: (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(4-methyl-5-sulfanylidenetetrazol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. InChIKey: LGKWYRNERXMLTN-XCGNWRKASA-N.

Identity
Molecular formulaC25H27N9O8S2
Molecular weight645.7 g/mol
IUPAC name(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(4-methyl-5-sulfanylidenetetrazol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyLGKWYRNERXMLTN-XCGNWRKASA-N
SMILESCCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CN5C(=S)N(N=N5)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: 5-Desthiolyl-5-thioxo Cefoperazone, Cefoperazone EP Impurity B, Cefoperazone sodium impurity B [EP], CEFOPERAZONE SODIUM IMPURITY B [EP IMPURITY]
Isomers (same molecular formula)
(6R,7R)-7-[[(2R)-2-[[2,3-dioxo-4-(1,1,2,2,2-pentadeuterioethyl)piperazine-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-carboxylic acid C25H27N9O8S2
(6R,7R)-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-carboxylic acid C25H27N9O8S2
(6R,7R)-7-[[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-carboxylic acid C25H27N9O8S2
(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-carboxylic acid C25H27N9O8S2