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Details

Stereochemistry RACEMIC
Molecular Formula C11H18N2O4
Molecular Weight 242.2716
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-HYDROXYPENTOBARBITAL, (1'R,3'R)-(±)-

SMILES

CCC1([C@H](C)C[C@@H](C)O)C(=O)NC(=O)NC1=O

InChI

InChIKey=XYOPMDJVSWQZTM-RNFRBKRXSA-N
InChI=1S/C11H18N2O4/c1-4-11(6(2)5-7(3)14)8(15)12-10(17)13-9(11)16/h6-7,14H,4-5H2,1-3H3,(H2,12,13,15,16,17)/t6-,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H18N2O4
Molecular Weight 242.2716
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:00:36 GMT 2023
Edited
by admin
on Sat Dec 16 00:00:36 GMT 2023
Record UNII
C4B7S9PT5M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-HYDROXYPENTOBARBITAL, (1'R,3'R)-(±)-
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-((1R,3R)-3-HYDROXY-1-METHYLBUTYL)-, REL-
Systematic Name English
BARBITURIC ACID, 5-ETHYL-5-(3-HYDROXY-1-METHYLBUTYL)-, (1'R*,3'R*)-(±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
121006218
Created by admin on Sat Dec 16 00:00:36 GMT 2023 , Edited by admin on Sat Dec 16 00:00:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID201135098
Created by admin on Sat Dec 16 00:00:36 GMT 2023 , Edited by admin on Sat Dec 16 00:00:36 GMT 2023
PRIMARY
CAS
30272-12-9
Created by admin on Sat Dec 16 00:00:36 GMT 2023 , Edited by admin on Sat Dec 16 00:00:36 GMT 2023
PRIMARY
FDA UNII
C4B7S9PT5M
Created by admin on Sat Dec 16 00:00:36 GMT 2023 , Edited by admin on Sat Dec 16 00:00:36 GMT 2023
PRIMARY