Chemical identity

Binimetinib Methyl Ester Impurity

CAS 1415559-93-1 · C16H12BrF2N3O2

01Identity

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

Lazychem IDLC-08290
PubChem CID73775786
NameBinimetinib Methyl Ester Impurity
CAS RN1415559-93-1
Molecular formulaC16H12BrF2N3O2
Molecular weight396.2 g/mol
IUPAC nameMethyl 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate
InChIKeyCLBKHICAWHYQLM-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 73775786
Two-dimensional chemical structure of Binimetinib Methyl Ester Impurity, CAS 1415559-93-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 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 count3
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESO=C(C1=C(NC2=CC=C(Br)C=C2F)C(F)=C3C(N(C)C=N3)=C1)OC
InChINot listed
Formula from structureC16H12BrF2N3O2
Molecular weight from structure396.2 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 Binimetinib Methyl Ester 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 Binimetinib Methyl Ester 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
C16H11BrF2N4O3
Candidate SMILES
COC(=O)c1cc2c(ncn2C)c(F)c1N(N=O)c1ccc(Br)cc1F
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C15H9BrF2N4O3
Candidate SMILES
COC(=O)c1cc2c(ncn2N=O)c(F)c1Nc1ccc(Br)cc1F

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 1415559-93-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1415559-93-1 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

Binimetinib

View API and impurity family

Other names

  • methyl 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-1-methyl-1H-1, 3-benzodiazole-6-carboxylate
  • 1H-Benzimidazole-6-carboxylic acid, 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-1-methyl-, methyl ester

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