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

Details

Stereochemistry RACEMIC
Molecular Formula C13H14N2O4
Molecular Weight 262.2618
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYMEPHOBARBITAL

SMILES

CCC1(c2ccc(cc2)O)C(=NC(=O)N(C)C1=O)O

InChI

InChIKey=ARGUVULFWSAUDV-UHFFFAOYSA-N
InChI=1S/C13H14N2O4/c1-3-13(8-4-6-9(16)7-5-8)10(17)14-12(19)15(2)11(13)18/h4-7,16H,3H2,1-2H3,(H,14,17,19)

HIDE SMILES / InChI

Molecular Formula C13H14N2O4
Molecular Weight 262.2618
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 16:12:11 UTC 2021
Edited
by admin
on Sat Jun 26 16:12:11 UTC 2021
Record UNII
DBB4QT72SN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYMEPHOBARBITAL
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(4-HYDROXYPHENYL)-1-METHYL-
Systematic Name English
5-ETHYL-5-(4-HYDROXYPHENYL)-1-METHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Systematic Name English
1,3-DIHYDROXY-2-(HYDROXYMETHYL)PROPAN-2-AMINIUMACETAT
Systematic Name English
Code System Code Type Description
PUBCHEM
133152
Created by admin on Sat Jun 26 16:12:12 UTC 2021 , Edited by admin on Sat Jun 26 16:12:12 UTC 2021
PRIMARY
CAS
79025-08-4
Created by admin on Sat Jun 26 16:12:12 UTC 2021 , Edited by admin on Sat Jun 26 16:12:12 UTC 2021
PRIMARY
FDA UNII
DBB4QT72SN
Created by admin on Sat Jun 26 16:12:12 UTC 2021 , Edited by admin on Sat Jun 26 16:12:12 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE