DES(2-CYANOPHENYL)-(2-CYANO-4-HYDROXYPHENYL)PERAMPANEL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H15N3O2
Molecular Weight	365.3841
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DES(2-CYANOPHENYL)-(2-CYANO-4-HYDROXYPHENYL)PERAMPANEL

Structure Search

SMILES

OC1=CC=C(C(=C1)C#N)C2=CC(=CN(C3=CC=CC=C3)C2=O)C4=CC=CC=N4

InChI

InChIKey=LTKVPVLPRNJRJD-UHFFFAOYSA-N

InChI=1S/C23H15N3O2/c24-14-16-12-19(27)9-10-20(16)21-13-17(22-8-4-5-11-25-22)15-26(23(21)28)18-6-2-1-3-7-18/h1-13,15,27H

HIDE SMILES / InChI

Molecular Formula	C23H15N3O2
Molecular Weight	365.3841
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 `Thu Jul 06 14:54:27 UTC 2023` Edited by `admin` on `Thu Jul 06 14:54:27 UTC 2023`
Record UNII	X376H44R70
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DES(2-CYANOPHENYL)-(2-CYANO-4-HYDROXYPHENYL)PERAMPANEL

Common Name

English

PERAMPANEL METABOLITE M4

Common Name

English

5-HYDROXY-2-(6'-OXO-1'-PHENYL-1',6'-DIHYDRO-(2,3'-BIPYRIDIN)-5'-YL)BENZONITRILE

Systematic Name

English

Code System Code Type Description

FDA UNII

X376H44R70

Created by admin on Thu Jul 06 14:54:27 UTC 2023 , Edited by admin on Thu Jul 06 14:54:27 UTC 2023

PRIMARY

PUBCHEM

91800174

Created by admin on Thu Jul 06 14:54:27 UTC 2023 , Edited by admin on Thu Jul 06 14:54:27 UTC 2023

PRIMARY

Related Record Type Details


					H821664NPK

PERAMPANEL

PARENT -> METABOLITE INACTIVE

Comments:

In vitro studies show that the primary oxidative metabolic route of perampanel is via cytochrome P450 (CYP)3A4 and/or CYP3A5, based on the results of metabolism by recombinant human CYPs, and inhibition studies using anti-CYP3A4 and ketoconazole in human liver microsomes.

Qualification:

FECAL; URINE