Chemical identity

2-Chloro Zafirlukast

CAS not listed · C31H32ClN3O6S

01Identity

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

Lazychem IDLC-01847
PubChem CID125299101
Name2-Chloro Zafirlukast
CAS RNNot listed
Molecular formulaC31H32ClN3O6S
Molecular weight610.12 g/mol
IUPAC nameCyclopentyl (2-chloro-3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methyl-1H-indol-5-yl)carbamate
InChIKeyKTUBELBTKOTTPJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 125299101
Two-dimensional chemical structure of 2-Chloro Zafirlukast
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 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 count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESO=C(NC1=CC=C2C(C(CC3=C(OC)C=C(C(NS(C4=C(C)C=CC=C4)(=O)=O)=O)C=C3)=C(Cl)N2C)=C1)OC5CCCC5
InChINot listed
Formula from structureC31H32ClN3O6S
Molecular weight from structure610.12 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 2-Chloro Zafirlukast 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 2-Chloro Zafirlukast, 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
C30H29ClN4O7S
Candidate SMILES
COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1c(Cl)n(N=O)c2ccc(NC(=O)OC3CCCC3)cc12

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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Zafirlukast

View API and impurity family

Other names

  • (2-Chloro-3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methyl-1H-indol-5-yl)carbamic Acid Cyclopentyl 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