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Details

Stereochemistry UNKNOWN
Molecular Formula C11H18N2O5
Molecular Weight 258.271
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-ISOBUTYL-5-(2,3-DIHYDROXYPROPYL)BARBITURIC ACID

SMILES

CC(C)CC1(CC(O)CO)C(=O)NC(=O)NC1=O

InChI

InChIKey=PNGVJCHFMKMWDC-UHFFFAOYSA-N
InChI=1S/C11H18N2O5/c1-6(2)3-11(4-7(15)5-14)8(16)12-10(18)13-9(11)17/h6-7,14-15H,3-5H2,1-2H3,(H2,12,13,16,17,18)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
5-ISOBUTYL-5-(2,3-DIHYDROXYPROPYL)BARBITURIC ACID
Systematic Name English
5-(2',3'-DIHYDROXYPROPYL)-5-ISOBUTYLBARBITURIC ACID
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(2,3-DIHYDROXYPROPYL)-5-(2-METHYLPROPYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
S3AAC9B2CP
Created by admin on Sat Dec 16 09:02:44 GMT 2023 , Edited by admin on Sat Dec 16 09:02:44 GMT 2023
PRIMARY
PUBCHEM
54198074
Created by admin on Sat Dec 16 09:02:44 GMT 2023 , Edited by admin on Sat Dec 16 09:02:44 GMT 2023
PRIMARY
CAS
66164-04-3
Created by admin on Sat Dec 16 09:02:44 GMT 2023 , Edited by admin on Sat Dec 16 09:02:44 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BUTALBITAL
NIH
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