U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C11H16N2O3.Ca
Molecular Weight 264.334
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM PENTOBARBITAL

SMILES

[Ca++].CCCC(C)C1(CC)C([O-])=NC(=O)N=C1[O-]

InChI

InChIKey=AJZCPCVZCDQEFK-UHFFFAOYSA-L
InChI=1S/C11H18N2O3.Ca/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);/q;+2/p-2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
CALCIUM PENTOBARBITAL
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(1-METHYLBUTYL)-, CALCIUM SALT (1:1)
Common Name English
BARBITURIC ACID, 5-ETHYL-5-(1-METHYLBUTYL)-, CALCIUM SALT (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
92043538
Created by admin on Fri Dec 15 16:15:39 UTC 2023 , Edited by admin on Fri Dec 15 16:15:39 UTC 2023
PRIMARY
FDA UNII
32I9YOC576
Created by admin on Fri Dec 15 16:15:39 UTC 2023 , Edited by admin on Fri Dec 15 16:15:39 UTC 2023
PRIMARY
CAS
3330-47-0
Created by admin on Fri Dec 15 16:15:39 UTC 2023 , Edited by admin on Fri Dec 15 16:15:39 UTC 2023
PRIMARY
PARENT (SALT/SOLVATE)
Structure of PENTOBARBITAL
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966