API and parent drug

Cilazapril

CAS 88768-40-5 · C22H31N3O5 · 5 related records

01API identity and structure

2D structurePubChem CID 56330
2D structure: Cilazapril, CAS 88768-40-5
Structure of Cilazapril (CAS 88768-40-5). LazyChem record. Source identity: PubChem CID 56330. Confirm the identifiers before analytical use.Download structure image
API / medicine nameCilazapril
CAS RN88768-40-5
PubChem CID56330
Molecular formulaC22H31N3O5
Molecular weight417.5 g/mol
IUPAC name(4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
Defined stereocentres3
Unassigned stereocentres0
SMILESCCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O
InChINot listed
InChIKeyHHHKFGXWKKUNCY-FHWLQOOXSA-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 88768-40-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources