Chemical identity

Chlorhexidine EP Impurity A

CAS 152504-08-0 · C16H24ClN9

01Identity

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

Lazychem IDLC-10414
PubChem CID15224705
NameChlorhexidine EP Impurity A
CAS RN152504-08-0
Molecular formulaC16H24ClN9
Molecular weight377.88 g/mol
IUPAC name1-(4-Chlorophenyl)-5-[6-[(cyanocarbamimidoyl)amino]hexyl]biguanide
InChIKeyDHPRGDRKNYRMPB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 15224705
Two-dimensional chemical structure of Chlorhexidine EP Impurity A, CAS 152504-08-0
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines2
Tertiary amines0
N-methyl amine sites0
SMILESC1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(N)NC#N)N)/N)Cl
InChINot listed
Formula from structureC16H24ClN9
Molecular weight from structure377.88 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 Chlorhexidine EP Impurity A 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 Chlorhexidine EP Impurity A, 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
C16H23ClN10O
Candidate SMILES
N#CNC(N)=NCCCCCCN=C(N)/N=C(\N)N(N=O)c1ccc(Cl)cc1
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C16H23ClN10O
Candidate SMILES
N#CN(N=O)C(N)=NCCCCCCN=C(N)/N=C(\N)Nc1ccc(Cl)cc1

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 152504-08-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 152504-08-0 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

Chlorhexidine

View API and impurity family

Other names

  • Chlorhexidene Diacetate Impurity A
  • 152504-08-0
  • Chlorhexidine nitrile
  • 92HGD8Y2JC
  • N-(4-Chlorophenyl)-N'-[6-[[(cyanoamino)iminomethyl]amino]hexyl]imidodicarbonimidic Diamide
  • (1E)-1-[amino-(4-chloroanilino)methylidene]-2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]guanidine
  • 1-(4-Chlorophenyl)-5-(6-((cyanocarbamimidoyl) amino)hexyl)biguanide
  • Imidodicarbonimidic diamide, N-(4-chlorophenyl)-N'-(6-(((cyanoamino)iminomethyl)amino)hexyl)-
  • Chlorhexidine Impurity A
  • UNII-92HGD8Y2JC
  • Chlorhexidine nitrile [USP]
  • DTXSID701382535

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