methohexital   Click here for help

GtoPdb Ligand ID: 7233

Synonyms: methohexitone
Approved drug
methohexital is an approved drug (FDA (1960))
Compound class: Synthetic organic
Comment: Methohexital is a barbiturate.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 69.97
Molecular weight 262.13
XLogP 2.11
No. Lipinski's rules broken 0
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Canonical SMILES C=CCC1(C(C#CCC)C)C(=NC(=O)N(C1=O)C)O
Isomeric SMILES C=CCC1(C(C#CCC)C)C(=NC(=O)N(C1=O)C)O
InChI InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1960))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
807 methohexital
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 151-83-7
ChEMBL Ligand CHEMBL7413
DrugBank Ligand DB00474
DrugCentral Ligand 1748
GtoPdb PubChem SID 178103807
PubChem CID 9034
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Wikipedia Methohexital