U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H10N2O6
Molecular Weight 290.2288
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,6-DIHYDROXYTHALIDOMIDE

SMILES

c1cc(c(c2c1C(=O)N([C@@]3([H])CCC(=NC3=O)O)C2=O)O)O

InChI

InChIKey=FOWJPOXGZWUXRJ-LURJTMIESA-N
InChI=1S/C13H10N2O6/c16-7-3-1-5-9(10(7)18)13(21)15(12(5)20)6-2-4-8(17)14-11(6)19/h1,3,6,16,18H,2,4H2,(H,14,17,19)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H10N2O6
Molecular Weight 290.2288
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 13:21:16 UTC 2021
Edited
by admin
on Sat Jun 26 13:21:16 UTC 2021
Record UNII
QEA20YZ2JY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,6-DIHYDROXYTHALIDOMIDE
Common Name English
1H-ISOINDOLE-1,3(2H)-DIONE, 2-(2,6-DIOXO-3-PIPERIDINYL)-4,5-DIHYDROXY-
Systematic Name English
2-((3S)-2,6-DIOXO-3-PIPERIDYL)-4,5-DIHYDROXY-ISOINDOLINE-1,3-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
154572889
Created by admin on Sat Jun 26 13:21:16 UTC 2021 , Edited by admin on Sat Jun 26 13:21:16 UTC 2021
PRIMARY
FDA UNII
QEA20YZ2JY
Created by admin on Sat Jun 26 13:21:16 UTC 2021 , Edited by admin on Sat Jun 26 13:21:16 UTC 2021
PRIMARY
CAS
222991-41-5
Created by admin on Sat Jun 26 13:21:16 UTC 2021 , Edited by admin on Sat Jun 26 13:21:16 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
CYP2C9 and CYP1A2 were also mediators in this reaction.