ChemicalBook--->CAS DataBase List--->1364322-41-7

1364322-41-7

1364322-41-7 Structure

1364322-41-7 Structure
IdentificationBack Directory
[Name]

Entacapone EP Impurity G
[CAS]

1364322-41-7
[Synonyms]

Entacapone EP Impurity G
N,N-Bis-desethyl, N-Methyl Entacapone
2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-methyl-, (2E)-
[Molecular Formula]

C11H9N3O5
[MOL File]

1364322-41-7.mol
[Molecular Weight]

263.21
Chemical PropertiesBack Directory
[Boiling point ]

544.6±50.0 °C(Predicted)
[density ]

1.537±0.06 g/cm3(Predicted)
[pka]

4.88±0.50(Predicted)
[InChI]

InChI=1S/C11H9N3O5/c1-13-11(17)7(5-12)2-6-3-8(14(18)19)10(16)9(15)4-6/h2-4,15-16H,1H3,(H,13,17)/b7-2+
[InChIKey]

PJVWDBNDLNEXCN-FARCUNLSSA-N
[SMILES]

C(NC)(=O)/C(/C#N)=C/C1=CC([N+]([O-])=O)=C(O)C(O)=C1
Hazard InformationBack Directory
[Uses]

N,N-Bis-desethyl, N-Methyl Entacapone is an impurity of Entacapone (E558500). The (E)-Isomer of Entacapone which is a polymorphic form A. Peripherally acting inhibitor of catechol-O-methyl transferase (COMT), an enzyme involved in the metabolism of catecholamine neurotransmitters and related drugs. Antiparkinsonian.
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