Chemical identity

Captopril EP Impurity B

CAS 80629-35-2 · C9H14BrNO3

01Identity

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

Lazychem IDLC-09350
PubChem CID12760206
NameCaptopril EP Impurity B
CAS RN80629-35-2
Molecular formulaC9H14BrNO3
Molecular weight264.12 g/mol
IUPAC name(2S)-1-[(2S)-3-bromo-2-methylpropanoyl]-pyrrolidine-2-carboxylic acid
InChIKeySJYSAVFKJLHJHP-RQJHMYQMSA-N

02Structure identifiers

2D structurePubChem CID 12760206
Two-dimensional chemical structure of Captopril EP Impurity B, CAS 80629-35-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H](CBr)C(=O)N1CCC[C@H]1C(=O)O
InChINot listed
Formula from structureC9H14BrNO3
Molecular weight from structure264.12 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 80629-35-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 80629-35-2 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

Captopril

View API and impurity family

Other names

  • ((S)-3-Bromo-2-methylpropanoyl)-L-proline
  • Captopril bromo analog
  • 80629-35-2
  • Captopril Impurity B
  • Captopril impurity B [EP]
  • UNII-6HCR5N6952
  • (2S)-1-[(2S)-3-Bromo-2-methylpropanoyl]pyrrolidine-2-carboxylic Acid
  • 6HCR5N6952
  • Captopril specified impurity B [EP]
  • L-Proline, 1-((2S)-3-bromo-2-methyl-1-oxopropyl)-
  • L-Proline, 1-(3-bromo-2-methyl-1-oxopropyl)-, (S)-
  • DTXSID20230443

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