OPICAPONE SULFATE METABOLITE

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

Structure Search

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

Molecular Formula	C15H10Cl2N4O9S
Molecular Weight	493.232
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:29:52 UTC 2023` Edited by `admin` on `Sat Dec 16 18:29:52 UTC 2023`
Record UNII	WD9VN5432E
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 18:29:52 UTC 2023

PRIMARY

CAS

1428009-72-6

Created by admin on Sat Dec 16 18:29:52 UTC 2023 , Edited by admin on Sat Dec 16 18:29:52 UTC 2023

PRIMARY

PUBCHEM

157010655

Created by admin on Sat Dec 16 18:29:52 UTC 2023 , Edited by admin on Sat Dec 16 18:29:52 UTC 2023

PRIMARY

Related Record Type Details


					Y5929UIJ5N

OPICAPONE

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:

Name	Property Type	Parameters
Biological Half-life	PHARMACOKINETIC
Tmax	PHARMACOKINETIC	SINGLE DOSE ADMINISTRATION
Tmax	PHARMACOKINETIC	FED CONDITION MODERATE FAT/MODERATE CALORIE MEAL