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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H18N2O3
Molecular Weight 238.2829
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SECOBARBITAL, (S)-

SMILES

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

InChI

InChIKey=KQPKPCNLIDLUMF-QMMMGPOBSA-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)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H18N2O3
Molecular Weight 238.2829
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 14:37:24 UTC 2023
Edited
by admin
on Thu Jul 06 14:37:24 UTC 2023
Record UNII
FG3SCI1960
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SECOBARBITAL, (S)-
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-((1S)-1-METHYLBUTYL)-5-(2-PROPEN-1-YL)-
Systematic Name English
SECOBARBITAL, (-)-
Common Name English
(S)-(-)-SECONAL
Common Name English
BARBITURIC ACID, 5-ALLYL-5-(1-METHYLBUTYL)-, (S)-(-)-
Common Name English
S-(-)-SECOBARBITAL
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-((1S)-1-METHYLBUTYL)-5-(2-PROPENYL)-
Systematic Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(1-METHYLBUTYL)-5-(2-PROPENYL)-, (S)-
Common Name English
(-)-SECOBARBITAL
Common Name English
S(-)-SECOBARBITAL
Common Name English
(S)-5-ALLYL-5-(2'-PENTYL)BARBITURIC ACID
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID7048873
Created by admin on Thu Jul 06 14:37:24 UTC 2023 , Edited by admin on Thu Jul 06 14:37:24 UTC 2023
PRIMARY
CAS
20224-45-7
Created by admin on Thu Jul 06 14:37:24 UTC 2023 , Edited by admin on Thu Jul 06 14:37:24 UTC 2023
PRIMARY
PUBCHEM
30019
Created by admin on Thu Jul 06 14:37:24 UTC 2023 , Edited by admin on Thu Jul 06 14:37:24 UTC 2023
PRIMARY
FDA UNII
FG3SCI1960
Created by admin on Thu Jul 06 14:37:24 UTC 2023 , Edited by admin on Thu Jul 06 14:37:24 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER