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Details

Stereochemistry RACEMIC
Molecular Formula C13H14N2O4
Molecular Weight 262.2613
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYMEPHOBARBITAL

SMILES

CCC1(C(=O)NC(=O)N(C)C1=O)C2=CC=C(O)C=C2

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

Approval Year

Unknown
139594
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
EPA CompTox
DTXSID801000201
Created by admin on Sat Dec 16 17:26:42 GMT 2023 , Edited by admin on Sat Dec 16 17:26:42 GMT 2023
PRIMARY
PUBCHEM
133152
Created by admin on Sat Dec 16 17:26:42 GMT 2023 , Edited by admin on Sat Dec 16 17:26:42 GMT 2023
PRIMARY
CAS
79025-08-4
Created by admin on Sat Dec 16 17:26:42 GMT 2023 , Edited by admin on Sat Dec 16 17:26:42 GMT 2023
PRIMARY
FDA UNII
DBB4QT72SN
Created by admin on Sat Dec 16 17:26:42 GMT 2023 , Edited by admin on Sat Dec 16 17:26:42 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of MEPHOBARBITAL
NIH
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