Chemical identity

Diclofenac Isopropyl Ester

CAS 66370-79-4 · C17H17Cl2NO2

01Identity

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

Lazychem IDLC-12786
PubChem CID21136125
NameDiclofenac Isopropyl Ester
CAS RN66370-79-4
Molecular formulaC17H17Cl2NO2
Molecular weight338.23
IUPAC nameIsopropyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
InChIKeyQMHUQACYEOZUBF-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 21136125
Two-dimensional chemical structure of Diclofenac Isopropyl Ester, CAS 66370-79-4
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
SMILESCC(C)OC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl
InChINot listed
Formula from structureC17H17Cl2NO2
Molecular weight from structure338.23

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 Diclofenac Isopropyl Ester 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 Diclofenac Isopropyl Ester, 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
C17H16Cl2N2O3
Candidate SMILES
CC(C)OC(=O)Cc1ccccc1N(N=O)c1c(Cl)cccc1Cl

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 66370-79-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 66370-79-4 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

Diclofenac

View API and impurity family

Other names

  • Diclofenac Isopropyl Ester Impurity
  • Isopropyl 2-[2-(2, 6-dichloroanilino)phenyl]acetate
  • 2-?[(2, ?6-?Dichlorophenyl)?amino]?-benzeneacetic Acid 1-?Methylethyl Ester
  • Diclofenac isopropyl ester
  • 66370-79-4
  • Isopropyl 2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetate
  • propan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
  • Isopropyl [2-[(2,6-Dichlorophenyl)amino]phenyl]acetate (Isopropyl Ester of Diclofenac)
  • Isopropyl 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetate
  • Isopropyl Ester of Diclofenac
  • Diclofenac Impurity 11
  • SCHEMBL2739298

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