Identitet

Captopril EP Impurity B

CAS 80629-35-2 · C9H14BrNO3

01Identitet

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

02Struktur og stereokemi

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
Ring count1
Secondary amines0
Tertiary amines0
SMILESC[C@H](CBr)C(=O)N1CCC[C@H]1C(=O)O
InChIIkke angivet

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.

04Status i Indien

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

05Navne og relationer

API og moderlægemiddel

Captopril

Urenheder og beslægtede forbindelser

Navne og relationer

  • ((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

Urenheder og beslægtede forbindelser

06Kilder