Hexobarbital sodiumProduct ingredient for Hexobarbital

Name
Hexobarbital sodium
Drug Entry
Hexobarbital

A barbiturate that is effective as a hypnotic and sedative.

Accession Number
DBSALT000914
Structure
Synonyms
Not Available
UNII
I788X867K7
CAS Number
50-09-9
Weight
Average: 258.253
Monoisotopic: 258.09803663
Chemical Formula
C12H15N2NaO3
InChI Key
SQMCFUSVGSBKFK-UHFFFAOYSA-M
InChI
InChI=1S/C12H16N2O3.Na/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16;/h6H,3-5,7H2,1-2H3,(H,13,15,17);/q;+1/p-1
IUPAC Name
sodium 5-(cyclohex-1-en-1-yl)-3,5-dimethyl-2,4,6-trioxo-1,3-diazinan-1-ide
SMILES
[Na+].CN1C(=O)[N-]C(=O)C(C)(C1=O)C1=CCCCC1
PubChem Compound
23664950
ChemSpider
5545
ChEMBL
CHEMBL2104880
Predicted Properties
PropertyValueSource
Water Solubility13.5 mg/mLALOGPS
logP1.64ALOGPS
logP1.25Chemaxon
logS-1.3ALOGPS
pKa (Strongest Acidic)7.41Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area63.68 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity61.15 m3·mol-1Chemaxon
Polarizability23.65 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon