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Details

Stereochemistry ACHIRAL
Molecular Formula C15H10Cl2N4O9S
Molecular Weight 493.232
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OPICAPONE SULFATE METABOLITE

SMILES

CC1=C(C2=NOC(=N2)C3=CC(OS(O)(=O)=O)=C(O)C(=C3)[N+]([O-])=O)C(Cl)=[N+]([O-])C(C)=C1Cl

InChI

InChIKey=AMFNGRLQRNCIRR-UHFFFAOYSA-N
InChI=1S/C15H10Cl2N4O9S/c1-5-10(13(17)20(23)6(2)11(5)16)14-18-15(29-19-14)7-3-8(21(24)25)12(22)9(4-7)30-31(26,27)28/h3-4,22H,1-2H3,(H,26,27,28)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
OPICAPONE SULFATE METABOLITE
Common Name English
BIA9-1103
Code English
BIA 91103
Code English
1,2-BENZENEDIOL, 5-(3-(2,5-DICHLORO-4,6-DIMETHYL-1-OXIDO-3-PYRIDINYL)-1,2,4-OXADIAZOL-5-YL)-3-NITRO-, 1-(HYDROGEN SULFATE)
Systematic Name English
Code System Code Type Description
FDA UNII
WD9VN5432E
Created by admin on Sat Dec 16 18:29:52 GMT 2023 , Edited by admin on Sat Dec 16 18:29:52 GMT 2023
PRIMARY
CAS
1428009-72-6
Created by admin on Sat Dec 16 18:29:52 GMT 2023 , Edited by admin on Sat Dec 16 18:29:52 GMT 2023
PRIMARY
PUBCHEM
157010655
Created by admin on Sat Dec 16 18:29:52 GMT 2023 , Edited by admin on Sat Dec 16 18:29:52 GMT 2023
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of OPICAPONE
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