Chemical identity

Amitriptyline EP Impurity C (HCl salt)

CAS 894-71-3 · C19H22ClN

01Identity

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

Lazychem IDLC-05999
PubChem CID13468
NameAmitriptyline EP Impurity C (HCl salt)
CAS RN894-71-3
Molecular formulaC19H22ClN
Molecular weight299.84 g/mol
IUPAC name3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine HCl
InChIKeySHAYBENGXDALFF-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 13468
Two-dimensional chemical structure of Amitriptyline EP Impurity C (HCl salt), CAS 894-71-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres0
Unassigned stereocentres0
Ring count3
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESCNCC/C=C1C2=C(C=CC=C2)CCC3=C\1C=CC=C3.Cl
InChINot listed
Formula from structureC19H22ClN
Molecular weight from structure299.84 g/mol

03Possible 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 Amitriptyline 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 Amitriptyline 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
C19H21ClN2O
Candidate SMILES
CN(CCC=C1c2ccccc2CCc2ccccc21)N=O.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.

04India 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 894-71-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 894-71-3 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.

05Names and relationships

Associated parent compound

Amitriptyline; Nortriptyline Hydrochloride; Nortriptyline

View API and impurity family

Other names

  • Nortriptyline hydrochloride
  • 894-71-3
  • Nortriptyline Hcl
  • Aventyl hydrochloride
  • DTXSID2045109
  • NSC-169453
  • 00FN6IH15D
  • DTXCID0025109
  • 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methyl-, hydrochloride
  • Norpress
  • NORTRIPTYLINE HCI
  • RefChem:55736

Related records from the same parent family

06Documented 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.

07Sources