butabarbital   Click here for help

GtoPdb Ligand ID: 7137

Synonyms: Butisol®
Approved drug
butabarbital is an approved drug
Compound class: Synthetic organic
Comment: Butabarbital is a prescription barbiturate sedative. It is used in relatively few countries due to its potential for abuse and dangerous interaction in combination with alcohol.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 82.25
Molecular weight 212.12
XLogP 2.5
No. Lipinski's rules broken 0
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Canonical SMILES CCC(C1(CC)C(=NC(=O)N=C1O)O)C
Isomeric SMILES CCC(C1(CC)C(=NC(=O)N=C1O)O)C
InChI InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
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Molecular structure representations generated using Open Babel