Chemical identity

(6R,7R)-7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

CAS 90712-49-5 · C7H8N2O3S

01Identity

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

Lazychem IDLC-10130
PubChem CID45089556
Name(6R,7R)-7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
CAS RN90712-49-5
Molecular formulaC7H8N2O3S
Molecular weight200.22 g/mol
IUPAC name(6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
InChIKeyPDTVGZMBPPXMAO-WVOWXROLSA-N

02Structure identifiers

2D structurePubChem CID 45089556
Two-dimensional chemical structure of (6R,7R)-7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, CAS 90712-49-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres2
Unassigned stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=CS[C@@H]2[C@@H](C(=O)N2C1C(=O)O)N
InChINot listed
Formula from structureC7H8N2O3S
Molecular weight from structure200.22 g/mol

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially 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.

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 90712-49-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 90712-49-5 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

Ceftibuten

View API and impurity family

Other names

  • Ceftibuten Impurity 7
  • 5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylicacid,7-amino-8-oxo-,[6R-(6alpha,7beta)]-(9CI)
  • (6R,7R)-7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
  • 90712-49-5
  • Ceftizoxime Impurity 12
  • 7-Anca Impurity A
  • CS-0499204

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