METHARBITAL

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Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N03AA30
UNII: 02OS7K758T

Structure
InChI Key FWJKNZONDWOGMI-UHFFFAOYSA-N
Smile CCC1(CC)C(=O)NC(=O)N(C)C1=O
InChI
InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14N2O3
Molecular Weight 198.22
AlogP 0.5
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 66.48
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
CAS NUMBER 50-11-3
ChEBI 31827
ChEMBL CHEMBL450
DrugBank DB00463
DrugCentral 1740
EPA CompTox DTXSID6023280
FDA SRS 02OS7K758T
Human Metabolome Database HMDB0014606
Guide to Pharmacology 7230
PharmGKB PA164746525
PubChem 4099
SureChEMBL SCHEMBL22556220
ZINC ZINC000005508997
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