API and parent drug

Benazepril Hydrochloride

CAS 86541-74-4 · C24H28N2O5 ∙ HCl · 12 related records

01API identity and structure

2D structurePubChem CID 5362123
2D structure: Benazepril Hydrochloride, CAS 86541-74-4
Structure of Benazepril Hydrochloride (CAS 86541-74-4). LazyChem record. Source identity: PubChem CID 5362123. Confirm the identifiers before analytical use.Download structure image
API / medicine nameBenazepril Hydrochloride
CAS RN86541-74-4
PubChem CID5362123
Molecular formulaC24H28N2O5 ∙ HCl
Molecular weight460.95 g/mol
IUPAC name(3S)-3-[(1S)-1-Ethoxycarbonyl-3-phenylpropyl]amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic Acid Hydrochloride
Defined stereocentres2
Unassigned stereocentres0
SMILESCCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl
InChINot listed
InChIKeyVPSRQEHTHIMDQM-FKLPMGAJSA-N

02Stereochemistry

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

Defined stereocentres22D structure
Unassigned stereocentres02D structure
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.

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 86541-74-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources