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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1152 secbutabarbital
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 125-40-6
DrugBank Ligand DB00237
DrugCentral Ligand 439
GtoPdb PubChem SID 178103713
PubChem CID 2479
Search Google for chemical match using the InChIKey ZRIHAIZYIMGOAB-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZRIHAIZYIMGOAB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZRIHAIZYIMGOAB-UHFFFAOYSA-N
Wikipedia Butabarbital