Chemical identity

Trandolapril Bicyclic Acid

CAS 145438-94-4 · C9H15NO2

01Identity

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

Lazychem IDLC-29952
PubChem CID7018901
NameTrandolapril Bicyclic Acid
CAS RN145438-94-4
Molecular formulaC9H15NO2
Molecular weight169.22 g/mol
IUPAC nameL-(2S,3aR,7aS)-Octahydroindole-2-carboxylic acid
InChIKeyCQYBNXGHMBNGCG-CSMHCCOUSA-N

02Structure identifiers

2D structurePubChem CID 7018901
Two-dimensional chemical structure of Trandolapril Bicyclic Acid, CAS 145438-94-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres0
Ring count2
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESC1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O
InChINot listed
Formula from structureC9H15NO2
Molecular weight from structure169.22 g/mol

03Stereochemistry

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

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

12 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.

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 Bicyclic Acid 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 Bicyclic Acid, 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
C9H14N2O3
Candidate SMILES
O=NN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21

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 145438-94-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 145438-94-4 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

Perindopril

View API and impurity family

Other names

  • Perindopril impurity
  • (2S,3aR,7aS)-octahydro-1H-indole-2-carboxylic acid
  • 145438-94-4
  • 1H-Indole-2-carboxylic acid, octahydro-, (2S,3aR,7aS)-
  • (2S,3AR,7AS)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID
  • DTXSID30427049
  • RefChem:207062
  • DTXCID80377883
  • Octahydroindol-2-carboxylic acid (rac. 7aR/3aS/2R, 7aS/3aR/2S)
  • 604-474-5
  • 87679-58-1
  • rel-(2S,3aR,7aS)-Octahydroindole-2-carboxylic Acid

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