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 2.7.1
Substance Class Chemical
Record UNII
32I9YOC576
Record Status Validated
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 Sat Jun 26 16:25:29 EDT 2021
Edited by GUEST on Wed Jul 21 16:05:30 EDT 2021
Structure of CALCIUM PENTOBARBITAL

Systematic Names:

  • None recorded

SMILES

[Ca++].CCCC(C)C1(CC)C([O-])=NC(=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 Access References
CALCIUM PENTOBARBITAL
Common Name
English  
BARBITURIC ACID, 5-ETHYL-5-(1-METHYLBUTYL)-, CALCIUM SALT (1:1)
Common Name
English  
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(1-METHYLBUTYL)-, CALCIUM SALT (1:1)
Common Name
English  
Code System Code Type Description Access References
CAS
3330-47-0
Created by admin on Sat Jun 26 16:25:29 EDT 2021 , Edited by admin on Sat Jun 26 16:25:29 EDT 2021
PRIMARY
FDA UNII
32I9YOC576
Created by admin on Sat Jun 26 16:25:29 EDT 2021 , Edited by admin on Sat Jun 26 16:25:29 EDT 2021
PRIMARY
PUBCHEM
92043538
Created by admin on Sat Jun 26 16:25:29 EDT 2021 , Edited by admin on Sat Jun 26 16:25:29 EDT 2021
PRIMARY
Related Record Type Details Access References
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Sat Jun 26 16:25:29 EDT 2021 , Edited by admin on Sat Jun 26 16:25:29 EDT 2021
Note Access References
[Validation]WARNING:This fragment is present as a separate record in the database but in a different form. Please register: CCCC(C)C1(CC)C(=NC(=O)N=C1[O-])[O-] as an individual substance
Created Sat Jun 26 16:25:29 EDT 2021
Created By admin
Last Edited Sat Jun 26 16:25:29 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 SRS import [32I9YOC576] SRS NOMEN Fri Apr 28 14:46:52 EDT 2017
2 GSRS System-generated Validation messages VALIDATION_MESSAGE Sat Jun 26 16:25:28 EDT 2021
3 dump-public-2021-06-23_UPDATED.gsrs BATCH_IMPORT Sat Jun 26 16:25:28 EDT 2021
4 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:46:52 EDT 2017
5 STN SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
6 STN STN (SCIFINDER)
7 FDA_SRS SRS NOMEN
8 STN (SCIFINDER) STN (SCIFINDER) NOMEN

Molecular Formula Ca2+
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 C11H16N2O32-
Molecular Weight 224.2563
Charge -2
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )