Chemical identity

Entacapone EP impurity B

CAS 116314-52-4 · C12H10N2O6

01Identity

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

Lazychem IDLC-14125
PubChem CID44380432
NameEntacapone EP impurity B
CAS RN116314-52-4
Molecular formulaC12H10N2O6
Molecular weight278.22 g/mol
IUPAC nameEthyl (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
InChIKeyKZGBADQGBKGUGS-FPYGCLRLSA-N

02Structure identifiers

2D structurePubChem CID 44380432
Two-dimensional chemical structure of Entacapone EP impurity B, CAS 116314-52-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCOC(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N
InChINot listed
Formula from structureC12H10N2O6
Molecular weight from structure278.22 g/mol

03India 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 116314-52-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 116314-52-4 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.

04Names and relationships

Associated parent compound

Entacapone

View API and impurity family

Other names

  • Ethyl (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
  • 1215039-66-9
  • 116314-52-4
  • OR 545
  • Ethyl (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)acrylate
  • UNII-J85I78QXHX
  • Entacapone impurity B [EP]
  • J85I78QXHX
  • CHEMBL353012
  • ethyl (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
  • 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-, ethyl ester
  • Entacapone EP Impurity B

Related records from the same parent family

05Documented 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.

06Sources