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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H18N2O3
Molecular Weight 226.2722
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=WEXRUCMBJFQVBZ-ZETCQYMHSA-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)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H18N2O3
Molecular Weight 226.2722
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 Fri Dec 15 15:16:09 GMT 2023
Edited
by admin
on Fri Dec 15 15:16:09 GMT 2023
Record UNII
U7D0E1VOAM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTOBARBITAL, (S)-
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-((1S)-1-METHYLBUTYL)-
Systematic Name English
BARBITURIC ACID, 5-ETHYL-5-(1-METHYLBUTYL)-, (S)-(-)-
Systematic Name English
(S)-5-ETHYL-5-(2'-PENTYL)BARBITURIC ACID
Common Name English
PENTOBARBITONE, (-)-
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(1-METHYLBUTYL)-, (S)-
Common Name English
Code System Code Type Description
PUBCHEM
88981
Created by admin on Fri Dec 15 15:16:09 GMT 2023 , Edited by admin on Fri Dec 15 15:16:09 GMT 2023
PRIMARY
FDA UNII
U7D0E1VOAM
Created by admin on Fri Dec 15 15:16:09 GMT 2023 , Edited by admin on Fri Dec 15 15:16:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID50904726
Created by admin on Fri Dec 15 15:16:09 GMT 2023 , Edited by admin on Fri Dec 15 15:16:09 GMT 2023
PRIMARY
CAS
5767-32-8
Created by admin on Fri Dec 15 15:16:09 GMT 2023 , Edited by admin on Fri Dec 15 15:16:09 GMT 2023
PRIMARY
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