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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

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H16N2O3
Molecular Weight 224.2563
Charge -2
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 Fri Dec 15 16:15:39 UTC 2023
Edited
by admin
on Fri Dec 15 16:15:39 UTC 2023
Record UNII
32I9YOC576
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
PARENT -> SALT/SOLVATE