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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-4-HYDROXYPHENYL)PERAMPANEL-O-GLUCURONIDE

SMILES

O[C@H]1[C@H](OC2=CC=C(C(=C2)C#N)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=WMWGGTSLWNAEAG-LGUFPPMKSA-N
InChI=1S/C29H23N3O8/c30-14-16-12-19(39-29-25(35)23(33)24(34)26(40-29)28(37)38)9-10-20(16)21-13-17(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 09:26:46 GMT 2023
Edited
by admin
on Sat Dec 16 09:26:46 GMT 2023
Record UNII
OZ1V50MV5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES(2-CYANOPHENYL)-(2-CYANO-4-HYDROXYPHENYL)PERAMPANEL-O-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-6-(3-CYANO-4-(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
PERAMPANEL METABOLITE M13
Common Name English
Code System Code Type Description
FDA UNII
OZ1V50MV5A
Created by admin on Sat Dec 16 09:26:46 GMT 2023 , Edited by admin on Sat Dec 16 09:26:46 GMT 2023
PRIMARY
PUBCHEM
91800089
Created by admin on Sat Dec 16 09:26:46 GMT 2023 , Edited by admin on Sat Dec 16 09:26:46 GMT 2023
PRIMARY