Chemical identity

Ambroxol Monobromo Impurity

CAS 101900-43-0 · C13H19BrN2O

01Identity

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

Lazychem IDLC-05797
PubChem CID85528222
NameAmbroxol Monobromo Impurity
CAS RN101900-43-0
Molecular formulaC13H19BrN2O
Molecular weight299.21 g/mol
IUPAC nametrans-4-[(2-Amino-5-bromobenzyl)amino]cyclohexanol
InChIKeyUDTUIMUXTYRTTQ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 85528222
Two-dimensional chemical structure of Ambroxol Monobromo Impurity, CAS 101900-43-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, 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 count2
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESC1CC(CCC1NCC2=C(C=CC(=C2)Br)N)O
InChINot listed
Formula from structureC13H19BrN2O
Molecular weight from structure299.21 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 Ambroxol Monobromo Impurity 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 Ambroxol Monobromo Impurity, 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
C13H18BrN3O2
Candidate SMILES
Nc1ccc(Br)cc1CN(N=O)C1CCC(O)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 101900-43-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 101900-43-0 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

Ambroxol

View API and impurity family

Other names

  • trans-4-[[(2-Amino-5-bromophenyl)methyl]amino]-cyclohexanol
  • 101900-43-0
  • trans-4-((2-Amino-5-bromobenzyl)amino)cyclohexanol
  • 4-[(2-amino-5-bromophenyl)methylamino]cyclohexan-1-ol
  • Ambroxol Monobromine
  • Ambroxol Impurity 8
  • trans-4-[[(2-amino-5-bromophenyl)methyl]amino]cyclohexanol
  • MFCD28143353
  • IA183210
  • Ambroxol Impurity 28 (Ambroxol Monobromo)
  • DB-299316
  • 4-[(2-amino-5-bromo-phenyl)methylamino]cyclohexanol

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