Structure

InChI Key GQWNECFJGBQMBO-UHFFFAOYSA-N
Smile CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2.Cl
InChI
InChI=1S/C16H24N2O2.ClH/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18;/h12,17H,3-10H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25ClN2O2
Molecular Weight 312.84
AlogP 1.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 45.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D2 receptor antagonist PubMed PubMed PubMed Wikipedia Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
46.15
Psychiatric disorders
23.08
General disorders and administration site conditions
7.69
Investigations
7.69
Musculoskeletal and connective tissue disorders
7.69
Vascular disorders
7.69

Cross References

Resources Reference
ChEBI 6966
ChEMBL CHEMBL1200419
EPA CompTox DTXSID5045417
FDA SRS 1DWS68PNE6
Guide to Pharmacology 207
KEGG C07230
PubChem 27421
SureChEMBL SCHEMBL41018
ZINC ZINC22002218