Opicapone
5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol
Molecular Identity
Opicapone
5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol
PubChem CID: 135565903
Opicapone is a ring assembly and an oxadiazole.
2D Structure
Properties
C15H10Cl2N4O6
Molecular Formula
413.20
Molecular Weight
g/mol
411.9977
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
151
TPSA
May have limited oral absorption
2
H-Bond Donors
8
H-Bond Acceptors
557
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]Isomeric SMILES
SMILES: CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]Synonyms(20)
Opicapone923287-50-7ongentysBIA 9-10672,5-Dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxideOpicaponaBIA-9-1067BIA-91067DTXSID601026417opicaponum(4Z)-4-(3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene)-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one(4Z)-4-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one2,5-Dichloro-3-[5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]-4,6-dimethylpyridine 1-OxideRefChem:57625N04BX04
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Opicapone
Loading drug network...