Chemical identity

Nizatidine EP Impurity D

CAS 78441-62-0 · C9H17N3S2

01Identity

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

Lazychem IDLC-23619
PubChem CID10977318
NameNizatidine EP Impurity D
CAS RN78441-62-0
Molecular formulaC9H17N3S2
Molecular weight231.38
IUPAC name2-[(N,N-Dimethylamino)methyl]-4-[(2-aminoethyl)thiomethyl] thiazole
InChIKeyFDMDNIIUCZHKFE-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 10977318
Two-dimensional chemical structure of Nizatidine EP Impurity D, CAS 78441-62-0
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. 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)CSCCN
InChINot listed
Formula from structureC9H17N3S2
Molecular weight from structure231.38

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 EP Impurity D 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 EP Impurity D, 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
C8H14N4OS2
Candidate SMILES
CN(Cc1nc(CSCCN)cs1)N=O

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 78441-62-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 78441-62-0 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

  • 2-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole
  • 78441-62-0
  • HHG5BM73J9
  • 4-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-2-thiazolemethanamine
  • NIZATIDINE IMPURITY D [EP IMPURITY]
  • 4-(((2-Aminoethyl)thio)methyl)-N,N-dimethylthiazole-2-methylamine
  • 2-(((2-((DIMETHYLAMINO)METHYL)THIAZOL-4-YL)METHYL)SULFANYL)ETHANAMINE
  • RefChem:197628
  • 278-909-9
  • 2-(((2-((Dimethylamino)methyl)thiazol-4-yl)methyl)thio)ethanamine
  • Nizatidine EP Impurity D
  • MFCD08703310

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