AMOBARBITAL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05CA02
UNII: GWH6IJ239E

Structure
InChI Key VIROVYVQCGLCII-UHFFFAOYSA-N
Smile CCC1(CCC(C)C)C(=O)N=C(O)NC1=O
InChI
InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18N2O3
Molecular Weight 226.28
AlogP 1.39
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 78.76
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 16.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 1 D010003 ClinicalTrials

Cross References

Resources Reference
ChEBI 2673
ChEMBL CHEMBL267894
DrugBank DB01351
DrugCentral 184
EPA CompTox DTXSID9020081
FDA SRS GWH6IJ239E
Human Metabolome Database HMDB0015440
KEGG C07536
PharmGKB PA448401
PubChem 2164
SureChEMBL SCHEMBL43780
ZINC ZINC000004811698
CONTENTS