Chemical identity

Cimetidine Impurity T

CAS 208447-53-4 · C11H20N8S2

01Identity

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

Lazychem IDLC-10686
PubChem CID102121161
NameCimetidine Impurity T
CAS RN208447-53-4
Molecular formulaC11H20N8S2
Molecular weight328.46 g/mol
IUPAC name1,1'-((methylenebis(sulfanediyl))bis(ethane-2,1-diyl))bis(2-cyano-3-methylguanidine)
InChIKeyUNZGOQIAAXDWGK-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 102121161
Two-dimensional chemical structure of Cimetidine Impurity T, CAS 208447-53-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count0
Secondary amines4
Tertiary amines0
N-methyl amine sites0
SMILESCN=C(NCCSCSCCNC(=NC)NC#N)NC#N
InChINot listed
Formula from structureC11H20N8S2
Molecular weight from structure328.46 g/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 Cimetidine Impurity T 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 Cimetidine Impurity T, 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
C11H19N9OS2
Candidate SMILES
CN=C(NC#N)NCCSCSCCN(N=O)C(=NC)NC#N
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C11H19N9OS2
Candidate SMILES
CN=C(NC#N)NCCSCSCCNC(=NC)N(C#N)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 208447-53-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 208447-53-4 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

Cimetidine

View API and impurity family

Other names

  • Cimetidine Impurity 3
  • Cimetidine Impurity T
  • 208447-53-4

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