CYCLOBARBITAL CALCIUM

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0HZN7FV25R

Structure
InChI Key LQOCSNZFBLPUID-UHFFFAOYSA-L
Smile CCC1(C2=CCCCC2)C(=O)[N-]C(=O)NC1=O.CCC1(C2=CCCCC2)C(=O)[N-]C(=O)NC1=O.[Ca+2]
InChI
InChI=1S/2C12H16N2O3.Ca/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30CaN4O6
Molecular Weight 510.6
AlogP 1.25
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 75.27
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 17.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2106556
FDA SRS 0HZN7FV25R
PubChem 13293232
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