Identità

Cefoperazone EP Impurity B

CAS 711598-76-4 · C25H27N9O8S2

01Identità

Lazychem IDLC-09919
CAS RN711598-76-4
PubChem CID71315826
Molecular formulaC25H27N9O8S2
Molecular weight645.67 g/mol
IUPAC name(6R,7R)-7-[[(2R)-2-[[(4-ethyl-2,3-dioxopiperazin-1-yl)-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(4-methyl-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyLGKWYRNERXMLTN-XCGNWRKASA-N

02Struttura e stereochimica

2D structurePubChem CID 71315826
Two-dimensional chemical structure of Cefoperazone EP Impurity B, CAS 711598-76-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count5
Secondary amines0
Tertiary amines0
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
InChINon indicato

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stato in India

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nomi e relazioni

API e farmaco progenitore

Cefoperazone

Impurezze e composti correlati

Nomi e relazioni

  • 5-Desthiolyl-5-thioxo Cefoperazone
  • 711598-76-4
  • Cefoperazone EP Impurity B
  • WN35C7MDY7
  • (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
  • (6R,7R)-3-((4,5-Dihydro-4-methyl-5-thioxo-1H-tetrazol-1-yl)methyl)-7-(((2R)-2-(((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((4,5-dihydro-4-methyl-5-thioxo-1H-tetrazol-1-yl)methyl)-7-(((2R)-2-(((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-8-oxo-, (6R,7R)-
  • UNII-WN35C7MDY7
  • DTXSID30747577
  • Cefoperazone sodium impurity B [EP]
  • MFCD19704929
  • CEFOPERAZONE SODIUM IMPURITY B [EP IMPURITY]

Impurezze e composti correlati

06Fonti