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Details

Stereochemistry RACEMIC
Molecular Formula C11H18N2O3
Molecular Weight 231.303
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTOBARBITAL-D5

SMILES

[2H]C([2H])([2H])C([2H])([2H])C1(C(C)CCC)C(=O)NC(=O)NC1=O

InChI

InChIKey=WEXRUCMBJFQVBZ-ZTIZGVCASA-N
InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/i2D3,5D2

HIDE SMILES / InChI

Molecular Formula C11H18N2O3
Molecular Weight 231.303
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 Dec 16 05:09:05 GMT 2023
Edited
by admin
on Sat Dec 16 05:09:05 GMT 2023
Record UNII
XKC28WZ299
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTOBARBITAL-D5
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(ETHYL-D5)-5-(1-METHYLBUTYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
XKC28WZ299
Created by admin on Sat Dec 16 05:09:05 GMT 2023 , Edited by admin on Sat Dec 16 05:09:05 GMT 2023
PRIMARY
PUBCHEM
21600132
Created by admin on Sat Dec 16 05:09:05 GMT 2023 , Edited by admin on Sat Dec 16 05:09:05 GMT 2023
PRIMARY
CAS
52944-66-8
Created by admin on Sat Dec 16 05:09:05 GMT 2023 , Edited by admin on Sat Dec 16 05:09:05 GMT 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED