Chemical identity

Nizatidine CMT Intermediate / Nizatidine Chloromethyl Thiazole Intermediate

CAS 82586-71-8 · C7H12Cl2N2S

01Identity

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

Lazychem IDLC-23615
PubChem CID13121958
NameNizatidine CMT Intermediate / Nizatidine Chloromethyl Thiazole Intermediate
CAS RN82586-71-8
Molecular formulaC7H12Cl2N2S
Molecular weight227.15 g/mol
IUPAC name4-Chloromethyl-2-dimethylaminomethylthiazole hydrochloride
InChIKeyVJJZXQCIDAQYNQ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 13121958
Two-dimensional chemical structure of Nizatidine CMT Intermediate / Nizatidine Chloromethyl Thiazole Intermediate, CAS 82586-71-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, 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 count1
Secondary amines0
Tertiary amines1
N-methyl amine sites2
SMILESCN(C)CC1=NC(=CS1)CCl.Cl
InChINot listed
Formula from structureC7H12Cl2N2S
Molecular weight from structure227.15 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 Nizatidine CMT Intermediate / Nizatidine Chloromethyl Thiazole Intermediate 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 Nizatidine CMT Intermediate / Nizatidine Chloromethyl Thiazole Intermediate, 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
C6H9Cl2N3OS
Candidate SMILES
CN(Cc1nc(CCl)cs1)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 82586-71-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 82586-71-8 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

Nizatidine

View API and impurity family

Other names

  • Nizatidine CMT Intermediate
  • Nizatidine Chloromethyl Thiazole Intermediate
  • 1-(4-(chloromethyl)thiazol-2-yl)-N,N-dimethylmethanamine hydrochloride
  • 82586-71-8
  • N-{[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}-N,N-dimethylamine hydrochloride
  • 2-dimethylaminomethyl-4-thiazolylmethylchloride hydrochloride
  • 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
  • hydrochloride
  • 906649-81-8
  • {[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]METHYL}DIMETHYLAMINE HYDROCHLORIDE
  • 140176-74-5
  • MFCD07787539

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