| Identification | Back 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 Properties | Back 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 Information | Back 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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