Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.5
Substance Class Chemical
Record UNII
32I9YOC576
Record Status Validated (UNII)
Record Version
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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
Created by admin on Thu Mar 26 12:39:55 EDT 2020
Edited by admin on Thu Mar 26 12:39:55 EDT 2020
Structure of CALCIUM PENTOBARBITAL

Systematic Names:

  • None recorded
  • {{name}}

SMILES

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

InChI

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
Name Type Language Details References
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 References
PUBCHEM
92043538
Created by admin on Thu Mar 26 12:39:55 EDT 2020 , Edited by admin on Thu Mar 26 12:39:55 EDT 2020
PRIMARY
CAS
3330-47-0
Created by admin on Thu Mar 26 12:39:55 EDT 2020 , Edited by admin on Thu Mar 26 12:39:55 EDT 2020
PRIMARY
Related Record Type Details References
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 12:39:55 EDT 2020 , Edited by admin on Thu Mar 26 12:39:55 EDT 2020
Note References
[Validation]WARNING:Must specify STN reference for CAS
Created Thu Mar 26 12:39:55 EDT 2020
Created By admin
Last Edited Thu Mar 26 12:39:55 EDT 2020
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File
1 SRS import [32I9YOC576] SRS NOMEN Fri Apr 28 14:46:52 EDT 2017
2 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:46:52 EDT 2017
3 STN SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
4 STN STN (SCIFINDER)
5 GSRS System-generated Validation messages VALIDATION_MESSAGE Thu Mar 26 12:39:54 EDT 2020
6 FDA_SRS SRS NOMEN
7 STN (SCIFINDER) STN (SCIFINDER) NOMEN
8 GSRS System-generated Validation messages VALIDATION_MESSAGE Thu Mar 26 12:39:54 EDT 2020

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H18N2O3
Molecular Weight 226.2722
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )