Chemical identity

Trandolapril Related Compound C / Trandolapril EP Impurity C (HCl Salt)

CAS 3077786-44-5 · C24H41ClN2O5

01Identity

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

Lazychem IDLC-29959
PubChem CID177807261
NameTrandolapril Related Compound C / Trandolapril EP Impurity C (HCl Salt)
CAS RN3077786-44-5
Molecular formulaC24H41ClN2O5
Molecular weight473.05 g/mol
IUPAC name(2S, 3aR, 7aS)-1-[N-[(S)-1-Carboxy-3-cyclohexylpropyl]-L-alanyl]hexahydro-2-indolinecarboxylic acid 1-ethyl ester hydrochloride
InChIKeyVGUWAFYTOQAKIB-OQHBUZHUSA-N

02Structure identifiers

2D structurePubChem CID 177807261
Two-dimensional chemical structure of Trandolapril Related Compound C / Trandolapril EP Impurity C (HCl Salt), CAS 3077786-44-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres1
Ring count3
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESCCOC(=O)C(CCC1CCCCC1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O.Cl
InChINot listed
Formula from structureC24H41ClN2O5
Molecular weight from structure473.05 g/mol

03Stereochemistry

The published structure contains 4 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before 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.

04Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Trandolapril Related Compound C / Trandolapril EP Impurity C (HCl Salt) with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Trandolapril Related Compound C / Trandolapril EP Impurity C (HCl Salt), with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C24H40ClN3O6
Candidate SMILES
CCOC(=O)C(CCC1CCCCC1)N(N=O)[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21.Cl

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

05India 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 3077786-44-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 3077786-44-5 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.

06Names and relationships

Associated parent compound

Trandolapril

View API and impurity family

Other names

  • Trandolapril Related Compound C (HCl Salt)
  • Trandolapril EP Impurity C

Related records from the same parent family

07Documented 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.

08Sources