Entacapone

CAS Registry Number®

130929-57-6

CAS Name

Entacapone

Molecular Formula

C14H15N3O5

Molecular Mass

305.29

Cite this Page

Entacapone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116314-67-1 (retrieved 2024-12-22) (CAS RN: 130929-57-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    162-163 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+

InChIKey

InChIKey=JRURYQJSLYLRLN-BJMVGYQFSA-N

SMILES

C(=C(/C(N(CC)CC)=O)\C#N)\C1=CC(N(=O)=O)=C(O)C(O)=C1

Canonical SMILES

N#CC(=CC1=CC(O)=C(O)C(=C1)N(=O)=O)C(=O)N(CC)CC

Other Names for this Substance

  • 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (2E)-
  • 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (E)-
  • (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
  • Entacapone
  • Comtan

View All

Deleted or Replaced CAS Registry Numbers

116314-67-1

CAS INSIGHTSTM
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