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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20N2O9
Molecular Weight 444.3923
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYPHENYTOIN O-GLUCURONIDE

SMILES

c1ccc(cc1)[C@]2(c3ccc(cc3)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O)C(=NC(=N2)O)O

InChI

InChIKey=RCYKZSJKDMUDIE-NQUUYQAJSA-N
InChI=1S/C21H20N2O9/c24-13-14(25)16(17(27)28)32-18(15(13)26)31-12-8-6-11(7-9-12)21(10-4-2-1-3-5-10)19(29)22-20(30)23-21/h1-9,13-16,18,24-26H,(H,27,28)(H2,22,23,29,30)/t13-,14-,15+,16-,18+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H20N2O9
Molecular Weight 444.3923
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 04:22:39 UTC 2021
Edited
by admin
on Sat Jun 26 04:22:39 UTC 2021
Record UNII
G702A8B63R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYPHENYTOIN O-GLUCURONIDE
Common Name English
4-((4S)-2,5-DIOXO-4-PHENYL-4-IMIDAZOLIDINYL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((4S)-2,5-DIOXO-4-PHENYL-4-IMIDAZOLIDINYL)PHENYL
Systematic Name English
Code System Code Type Description
PUBCHEM
91667680
Created by admin on Sat Jun 26 04:22:39 UTC 2021 , Edited by admin on Sat Jun 26 04:22:39 UTC 2021
PRIMARY
CAS
127708-89-8
Created by admin on Sat Jun 26 04:22:39 UTC 2021 , Edited by admin on Sat Jun 26 04:22:39 UTC 2021
PRIMARY
FDA UNII
G702A8B63R
Created by admin on Sat Jun 26 04:22:39 UTC 2021 , Edited by admin on Sat Jun 26 04:22:39 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
UGT1A isoforms (UGT1A1, UGT1A4, UGT1A6, and UGT1A9) are involved in the glucuronosyltransferase activity of 4?-HPPH in humans
MAJOR
PLASMA