Primary record
Entacapone acid
- CAS
- 160391-70-8
- PubChem CID
- 23189849
- SMILES
- C1=C(C=C(C(=C1[N+](=O)[O-])O)O)/C=C(\C#N)/C(=O)O
- Molecular Formula
- C10H6N2O6
- Molecular Weight
- 250.166
- Exact Mass
- 250.0226
- 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
- LogP
- 0.9976
- TPSA
- 144.69
Names and synonyms
- Entacapone acid
- Tyrphostin AG 1290
- Entacapone EP Impurity F
- Entacapone impurity F
- 160391-70-8
- Entacapone Impurity 3
- Entacapone impurity F [EP]
- Tyrphostin AG-1290
- UNII-3U917C92QR
- RefChem:137042
- 3U917C92QR
- CHEMBL4521833
- AG 1290
- AG-1290
- DTXSID40166871
- orb1305538
- DTXCID9089362
- SCHEMBL20100865
- (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoic acid
- BDBM50534439
- ZINC22309154
- AKOS005110896
- AKOS040745769
- ENTACAPONE IMPURITY F [EP IMPURITY]
- SS-3041
- DA-78726
- 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-, (2E)-
- ENTACAPONE IMPURITY F (EP IMPURITY)
- HY-125350
- J780.446F