BUTALBITAL

Search structure
Synonyms:
Status: Approved (1983)
Entry Type: Small molecule
Molecule Category: Parent
UNII: KHS0AZ4JVK

Structure
InChI Key UZVHFVZFNXBMQJ-UHFFFAOYSA-N
Smile C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O
InChI
InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16N2O3
Molecular Weight 224.26
AlogP 0.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 75.27
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 102524
ChEMBL CHEMBL454
DrugBank DB00241
DrugCentral 441
EPA CompTox DTXSID6022711
FDA SRS KHS0AZ4JVK
Human Metabolome Database HMDB0014386
Guide to Pharmacology 7138
PharmGKB PA448695
PubChem 2481
SureChEMBL SCHEMBL79820
ZINC ZINC000003830347
CONTENTS