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Details

Stereochemistry RACEMIC
Molecular Formula C12H18N2O3
Molecular Weight 241.3014
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SECOBARBITAL, (1-METHYL-D3)-

SMILES

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

InChI

InChIKey=KQPKPCNLIDLUMF-HPRDVNIFSA-N
InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/i3D3

HIDE SMILES / InChI

Molecular Formula C12H18N2O3
Molecular Weight 241.3014
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 Wed Jul 05 23:21:50 UTC 2023
Edited
by admin
on Wed Jul 05 23:21:50 UTC 2023
Record UNII
H9EB8P3P7B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SECOBARBITAL, (1-METHYL-D3)-
Common Name English
5-PROP-2-ENYL-5-(1,1,1-TRIDEUTERIOPENTAN-2-YL)-1,3-DIAZINANE-2,4,6-TRIONE
Systematic Name English
Code System Code Type Description
CAS
1246818-38-1
Created by admin on Wed Jul 05 23:21:51 UTC 2023 , Edited by admin on Wed Jul 05 23:21:51 UTC 2023
PRIMARY
FDA UNII
H9EB8P3P7B
Created by admin on Wed Jul 05 23:21:51 UTC 2023 , Edited by admin on Wed Jul 05 23:21:51 UTC 2023
PRIMARY
PUBCHEM
71752173
Created by admin on Wed Jul 05 23:21:51 UTC 2023 , Edited by admin on Wed Jul 05 23:21:51 UTC 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED