Chemical identity

Aceclofenac EP Impurity H / Diacetic Aceclofenac

CAS 1216495-92-9 · C20H17Cl2NO8

01Identity

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

Lazychem IDLC-04639
PubChem CID57369464
NameAceclofenac EP Impurity H / Diacetic Aceclofenac
CAS RN1216495-92-9
Molecular formulaC20H17Cl2NO8
Molecular weight470.26 g/mol
IUPAC name[[[[[[[2-[(2,6-Dichlorophenyl)amino]phenyl]acetyl]oxy]acetyl] oxy]acetyl]oxy]acetic acid
InChIKeyZCCRLKICIDWHKV-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 57369464
Two-dimensional chemical structure of Aceclofenac EP Impurity H / Diacetic Aceclofenac, CAS 1216495-92-9
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
SMILESC1=CC=C(C(=C1)CC(=O)OCC(=O)OCC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl
InChINot listed
Formula from structureC20H17Cl2NO8
Molecular weight from structure470.26 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 Aceclofenac EP Impurity H / Diacetic Aceclofenac 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 Aceclofenac EP Impurity H / Diacetic Aceclofenac, 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
C20H16Cl2N2O9
Candidate SMILES
O=NN(c1ccccc1CC(=O)OCC(=O)OCC(=O)OCC(=O)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 1216495-92-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1216495-92-9 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

Aceclofenac

View API and impurity family

Other names

  • Aceclofenac EP Impurity H
  • 2-(2-(2-(2-(2-(2,6-Dichlorophenylamino)phenyl)-acetoxy)acetoxy)acetoxy)acetic acid
  • Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, 2-(2-(carboxymethoxy)-2-oxoethoxy)-2-oxoethyl ester
  • Aceclofenac Impurity H
  • Diacetic Aceclofenac
  • 1216495-92-9
  • AGQ71ZS1VB
  • Aceclofenac impurity H [EP]
  • (((((((2-((2,6-Dichlorophenyl)amino)phenyl)acetyl)oxy)acetyl)oxy)acetyl)oxy)acetic acid
  • ACECLOFENAC IMPURITY H [EP IMPURITY]
  • RefChem:586136
  • 111-157-0

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