API and parent drug

Zofenopril

CAS 81872-10-8 · C22H23NO4S2 · 4 related records

01API identity and structure

2D structurePubChem CID 92400
2D structure: Zofenopril, CAS 81872-10-8
Structure of Zofenopril (CAS 81872-10-8). LazyChem record. Source identity: PubChem CID 92400. Confirm the identifiers before analytical use.Download structure image
API / medicine nameZofenopril
CAS RN81872-10-8
PubChem CID92400
Molecular formulaC22H23NO4S2
Molecular weight429.6 g/mol
IUPAC name(2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
Defined stereocentres3
Unassigned stereocentres0
SMILESC[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@H](C[C@H]2C(=O)O)SC3=CC=CC=C3
InChINot listed
InChIKeyIAIDUHCBNLFXEF-MNEFBYGVSA-N

02Stereochemistry

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

Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 81872-10-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources