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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H12N2O3
Molecular Weight 268.2679
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYPHENYTOIN, (S)-

SMILES

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

InChI

InChIKey=XEEDURHPFVXALT-HNNXBMFYSA-N
InChI=1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H12N2O3
Molecular Weight 268.2679
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:17:03 UTC 2021
Edited
by admin
on Sat Jun 26 00:17:03 UTC 2021
Record UNII
NJ1YQ8177I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYPHENYTOIN, (S)-
Common Name English
4'-HPPH
Common Name English
2,4-IMIDAZOLIDINEDIONE, 5-(4-HYDROXYPHENYL)-5-PHENYL-, (5S)-
Systematic Name English
(S)-5-(4-HYDROXYPHENYL)-5-PHENYLHYDANTOIN
Systematic Name English
Code System Code Type Description
CAS
57496-20-5
Created by admin on Sat Jun 26 00:17:03 UTC 2021 , Edited by admin on Sat Jun 26 00:17:03 UTC 2021
PRIMARY
FDA UNII
NJ1YQ8177I
Created by admin on Sat Jun 26 00:17:03 UTC 2021 , Edited by admin on Sat Jun 26 00:17:03 UTC 2021
PRIMARY
EPA CompTox
57496-20-5
Created by admin on Sat Jun 26 00:17:03 UTC 2021 , Edited by admin on Sat Jun 26 00:17:03 UTC 2021
PRIMARY
PUBCHEM
719423
Created by admin on Sat Jun 26 00:17:03 UTC 2021 , Edited by admin on Sat Jun 26 00:17:03 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
Related Record Type Details
PARENT -> METABOLITE INACTIVE
major metabolite, mainly by CYP2C9
MAJOR
Scientific Literature