Chemical identity

Phentolamine Mesilate EP Impurity B (HCl Salt)

CAS 13338-49-3 · C4H8Cl2N2

01Identity

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

Lazychem IDLC-25090
PubChem CID2760928
NamePhentolamine Mesilate EP Impurity B (HCl Salt)
CAS RN13338-49-3
Molecular formulaC4H8Cl2N2
Molecular weight155.03 g/mol
IUPAC name2-(Chloromethyl)-4,5-dihydro-1H-imidazole Hydrochloride
InChIKeyGHCCHMFFNHOXEU-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 2760928
Two-dimensional chemical structure of Phentolamine Mesilate EP Impurity B (HCl Salt), CAS 13338-49-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, 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 amines1
Tertiary amines0
N-methyl amine sites0
SMILESClCC1=NCCN1.[H]Cl
InChINot listed
Formula from structureC4H8Cl2N2
Molecular weight from structure155.03 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 Phentolamine Mesilate EP Impurity B (HCl Salt) 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 Phentolamine Mesilate EP Impurity B (HCl Salt), 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
C4H7Cl2N3O
Candidate SMILES
Cl.O=NN1CCN=C1CCl

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 13338-49-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 13338-49-3 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

Phentolamine

View API and impurity family

Other names

  • 1H-Imidazole, 2-(chloromethyl)-4, 5-dihydro-, hydrochloride
  • 2-chloromethyl-2-imidazoline hydrochloride
  • 2-(Chloromethyl)-4, 5-dihydroimidazole Hydrochloride

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