PEMOLINE

Search structure
Synonyms:
Status: Approved (1975)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06BA05
UNII: 7GAQ2332NK

Structure
InChI Key NRNCYVBFPDDJNE-UHFFFAOYSA-N
Smile NC1=NC(=O)C(c2ccccc2)O1
InChI
InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8N2O2
Molecular Weight 176.18
AlogP 0.6
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 64.68
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cocaine-Related Disorders 2 D019970 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 7953
ChEMBL CHEMBL1177
DrugBank DB01230
DrugCentral 2075
EPA CompTox DTXSID3023427
FDA SRS 7GAQ2332NK
KEGG C07899
PharmGKB PA450836
SureChEMBL SCHEMBL41636
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