ChemicalBook--->CAS DataBase List--->160391-70-8

160391-70-8

160391-70-8 Structure

160391-70-8 Structure
IdentificationBack Directory
[Name]

TYRPHOSTIN AG 1290
[CAS]

160391-70-8
[Synonyms]

AG1290
AG-1290
AG 1290
Entacapone acid
TYRPHOSTIN AG 1290
Entacapone impurity F
XDDDOLQEZBJWFZ-LZCJLJQNSA-N
(2E)-2-Cyano-3-(3,4-dihydroxy-5-nit
Entacapone Impurity 6(Entacapone EP Impurity F)
Entacapone Impurity 6(Entacapone EP Impurity A)
Entacapone Impurity 22(Entacapone EP Impurity F)
(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoic acid
2-Propenoic acid, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-, (2E)-
[Molecular Formula]

C10H6N2O6
[MDL Number]

MFCD16170433
[MOL File]

160391-70-8.mol
[Molecular Weight]

250.16
Chemical PropertiesBack Directory
[Boiling point ]

478.9±45.0 °C(Predicted)
[density ]

1.744±0.06 g/cm3(Predicted)
[form ]

Yellow to green solid.
[pka]

0.51±0.10(Predicted)
[InChI]

InChI=1S/C10H6N2O6/c11-4-6(10(15)16)1-5-2-7(12(17)18)9(14)8(13)3-5/h1-3,13-14H,(H,15,16)/b6-1+
[InChIKey]

XDDDOLQEZBJWFZ-LZCJLJQNSA-N
[SMILES]

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

Entacapone Acid, is the acid derivative of Entacapone (E558500). (E)-Isomer of Entacapone 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.
Spectrum DetailBack Directory
[Spectrum Detail]

TYRPHOSTIN AG 1290(160391-70-8)1HNMR
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