DES(2-CYANOPHENYL)-(2-CYANO-5-HYDROXYPHENYL)PERAMPANEL-O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H23N3O8
Molecular Weight	541.5082
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DES(2-CYANOPHENYL)-(2-CYANO-5-HYDROXYPHENYL)PERAMPANEL-O-GLUCURONIDE

Structure Search

SMILES

O[C@H]1[C@H](OC2=CC=C(C#N)C(=C2)C3=CC(=CN(C3=O)C4=CC=CC=C4)C5=CC=CC=N5)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=WDOLHLJEVOMPNO-LGUFPPMKSA-N

InChI=1S/C29H23N3O8/c30-14-16-9-10-19(39-29-25(35)23(33)24(34)26(40-29)28(37)38)13-20(16)21-12-17(22-8-4-5-11-31-22)15-32(27(21)36)18-6-2-1-3-7-18/h1-13,15,23-26,29,33-35H,(H,37,38)/t23-,24-,25+,26-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H23N3O8
Molecular Weight	541.5082
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:33:07 UTC 2023` Edited by `admin` on `Sat Dec 16 09:33:07 UTC 2023`
Record UNII	4D999P6VXV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DES(2-CYANOPHENYL)-(2-CYANO-5-HYDROXYPHENYL)PERAMPANEL-O-GLUCURONIDE

Common Name

English

PERAMPANEL METABOLITE M14

Common Name

English

(2S,3S,4S,5R,6S)-6-(4-CYANO-3-(6'-OXO-1'-PHENYL-1',6'-DIHYDRO-(2,3'-BIPYRIDIN)-5'-YL)PHENOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

156613659

Created by admin on Sat Dec 16 09:33:07 UTC 2023 , Edited by admin on Sat Dec 16 09:33:07 UTC 2023

PRIMARY

FDA UNII

4D999P6VXV

Created by admin on Sat Dec 16 09:33:07 UTC 2023 , Edited by admin on Sat Dec 16 09:33:07 UTC 2023

PRIMARY

Related Record Type Details


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PERAMPANEL

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