Chemical identity

(6R,7R)-3-((1H-Tetrazol-5-ylthio)methyl)-7-amino-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS 58016-87-8 · C9H10N6O3S2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-00402
PubChem CID124461697
Name(6R,7R)-3-((1H-Tetrazol-5-ylthio)methyl)-7-amino-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS RN58016-87-8
Molecular formulaC9H10N6O3S2
Molecular weight314.34 g/mol
IUPAC name(6R,7R)-3-((1H-Tetrazol-5-ylthio)methyl)-7-amino-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyLRGZZONZUPMKGF-CLZZGJSISA-N

02Structure identifiers

2D structurePubChem CID 124461697
Two-dimensional chemical structure of (6R,7R)-3-((1H-Tetrazol-5-ylthio)methyl)-7-amino-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, CAS 58016-87-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)CSC3=NNN=N3
InChINot listed
Formula from structureC9H10N6O3S2
Molecular weight from structure314.34 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 58016-87-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 58016-87-8 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Cefoperazone

View API and impurity family

Other names

  • (6R-trans)-7-Amino-8-oxo-3-[(1H-tetrazol-5-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
  • 58016-87-8
  • (6R,7R)-7-amino-8-oxo-3-(2H-tetrazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • BP Cefoperazone Sodium Impurity D
  • Cefoperazone EP Impurity D
  • Cefoperazone Impurity N1
  • (6R-trans)-7-Amino-8-oxo-3-[(1H-tetrazol-5-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carb
  • DB-290061

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources