Amobarbital sodiumProduct ingredient for Amobarbital

Name
Amobarbital sodium
Drug Entry
Amobarbital

A barbiturate with hypnotic and sedative properties (but not antianxiety). Adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. (From Martindale, The Extra Pharmacopoeia, 30th ed, p565)

Accession Number
DBSALT001490
Structure
Thumb
Synonyms
Not Available
UNII
G0313KNC7D
CAS Number
64-43-7
Weight
Average: 248.258
Monoisotopic: 248.1136867
Chemical Formula
C11H17N2NaO3
InChI Key
BNHGKKNINBGEQL-UHFFFAOYSA-M
InChI
InChI=1S/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1
IUPAC Name
sodium 5-ethyl-6-hydroxy-5-(3-methylbutyl)-2-oxo-2,5-dihydropyrimidin-4-olate
SMILES
[Na+].CCC1(CCC(C)C)C(O)=NC(=O)N=C1[O-]
ChemSpider
5917
ChEMBL
CHEMBL2105941
Wikipedia
Amobarbital
Predicted Properties
PropertyValueSource
Water Solubility0.238 mg/mLALOGPS
logP1.91ALOGPS
logP2.63ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)1.63ChemAxon
pKa (Strongest Basic)-4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area85.08 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity69.2 m3·mol-1ChemAxon
Polarizability23.02 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon