Chemical identity

Clozapine EP Impurity C/ Clozapine BP Impurity C/ N-Desmethyl Clozapine/ Demethyl Clozapine (Free Base)

CAS 6104-71-8 · C17H17ClN4

01Identity

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

Lazychem IDLC-11349
PubChem CID135409468
NameClozapine EP Impurity C/ Clozapine BP Impurity C/ N-Desmethyl Clozapine/ Demethyl Clozapine (Free Base)
CAS RN6104-71-8
Molecular formulaC17H17ClN4
Molecular weight312.8g/mol
IUPAC name8-Chloro-11-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine
InChIKeyJNNOSTQEZICQQP-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 135409468
Two-dimensional chemical structure of Clozapine EP Impurity C/ Clozapine BP Impurity C/ N-Desmethyl Clozapine/ Demethyl Clozapine (Free Base), CAS 6104-71-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 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 count4
Secondary amines2
Tertiary amines1
N-methyl amine sites0
SMILESClC1=CC=C2C(N=C(N3CCNCC3)C4=CC=CC=C4N2)=C1
InChINot listed
Formula from structureC17H17ClN4
Molecular weight from structure312.8g/mol

03Possible N-nitroso structures

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

Matched amine site2 candidates
Chemical structure of Clozapine EP Impurity C/ Clozapine BP Impurity C/ N-Desmethyl Clozapine/ Demethyl Clozapine (Free Base) 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 Clozapine EP Impurity C/ Clozapine BP Impurity C/ N-Desmethyl Clozapine/ Demethyl Clozapine (Free Base), 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
C17H16ClN5O
Candidate SMILES
O=NN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C17H16ClN5O
Candidate SMILES
O=NN1c2ccc(Cl)cc2N=C(N2CCNCC2)c2ccccc21

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 6104-71-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 6104-71-8 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

Clozapine

View API and impurity family

Other names

  • Clozapine EP Impurity C
  • Norclozapine
  • 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(1-piperazinyl)-
  • Clozapine BP Impurity C
  • Demethyl Clozapine

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