Chemical identity

Entacapone Methoxy Impurity

CAS 857629-78-8 · C15H17N3O5

01Identity

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

Lazychem IDLC-14138
PubChem CID11449993
NameEntacapone Methoxy Impurity
CAS RN857629-78-8
Molecular formulaC15H17N3O5
Molecular weight319.31 g/mol
IUPAC name(2E)-2-Cyano-3-(3-methoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
InChIKeyMAZRYCCTAIVEQP-IZZDOVSWSA-N

02Structure identifiers

2D structurePubChem CID 11449993
Two-dimensional chemical structure of Entacapone Methoxy Impurity, CAS 857629-78-8
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
SMILESCCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])/C#N
InChINot listed
Formula from structureC15H17N3O5
Molecular weight from structure319.31 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 857629-78-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 857629-78-8 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

  • (E)-3-O-Methyl Entacapone
  • (2E)-2-Cyano-N, N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenamide
  • Entacapone 3-Methyl Ether
  • 3-O-methylentacapone
  • 857629-78-8
  • (E/Z)-3-O-Methyl Entacapone
  • W9VF5G2UXT
  • (E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
  • UNII-W9VF5G2UXT
  • (2E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
  • 2-Propenamide, 2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-, (2E)-
  • N,N-diethyl-2-cyano-3-(-3-methoxy-4-hydroxy-5-nitrophenyl)acrylamide

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