Chemical identity

Terbinafine EP Impurity B / Terbinafine Related Compound B / Terbinafine BP Impurity B / cis-Terbinafine (HCl Salt)

CAS 176168-78-8 · C21H26ClN

01Identity

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

Lazychem IDLC-29123
PubChem CID71752365
NameTerbinafine EP Impurity B / Terbinafine Related Compound B / Terbinafine BP Impurity B / cis-Terbinafine (HCl Salt)
CAS RN176168-78-8
Molecular formulaC21H26ClN
Molecular weight327.89 g/mol
IUPAC name(2Z)-N,6,6-Trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine HCl
InChIKeyBWMISRWJRUSYEX-UYTGOYFPSA-N

02Structure identifiers

2D structurePubChem CID 71752365
Two-dimensional chemical structure of Terbinafine EP Impurity B / Terbinafine Related Compound B / Terbinafine BP Impurity B / cis-Terbinafine (HCl Salt), CAS 176168-78-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 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 count2
Secondary amines0
Tertiary amines1
N-methyl amine sites1
SMILESCC(C)(C)C#C/C=C\CN(C)CC1=CC=CC2=CC=CC=C21.Cl
InChINot listed
Formula from structureC21H26ClN
Molecular weight from structure327.89 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 Terbinafine EP Impurity B / Terbinafine Related Compound B / Terbinafine BP Impurity B / cis-Terbinafine (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 Terbinafine EP Impurity B / Terbinafine Related Compound B / Terbinafine BP Impurity B / cis-Terbinafine (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
C20H23ClN2O
Candidate SMILES
CC(C)(C)C#C/C=C\CN(Cc1cccc2ccccc12)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 176168-78-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 176168-78-8 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

Terbinafine

View API and impurity family

Other names

  • Terbinafine hydrochloride, (Z)-
  • cis-Terbinafine Hydrochloride
  • 176168-78-8
  • UNII-2H771UZ786
  • 2H771UZ786
  • (2Z)-N,6,6-Trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine hydrochloride
  • 1-Naphthalenemethanamine, N-((2Z)-6,6-dimethyl-2-hepten-4-yn-1-yl)-N-methyl-, hydrochloride (1:1)
  • RefChem:203224
  • (Z)-N,6,6-Trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine hydrochloride
  • (2Z)-N,6,6-Trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine Hydrochloride (cis-Terbinafine Hydrochloride)
  • Terbinafine Impurity B
  • (Z)-terbinafine hydrochloride

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