Chemical identity

Entacapone EP Impurity I

CAS 1364322-42-8 · C13H12N2O6

01Identity

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

Lazychem IDLC-14132
PubChem CID71587990
NameEntacapone EP Impurity I
CAS RN1364322-42-8
Molecular formulaC13H12N2O6
Molecular weight292.24 g/mol
IUPAC namePropyl (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
InChIKeyFKCZGPKFDJMUSV-RUDMXATFSA-N

02Structure identifiers

2D structurePubChem CID 71587990
Two-dimensional chemical structure of Entacapone EP Impurity I, CAS 1364322-42-8
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
SMILESO=C(OCCC)/C(C#N)=C/C1=CC([N+]([O-])=O)=C(O)C(O)=C1
InChINot listed
Formula from structureC13H12N2O6
Molecular weight from structure292.24 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 1364322-42-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1364322-42-8 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

  • Propyl (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
  • Propyl (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)acrylate
  • n-Propyl (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate

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