NEFAZODONE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 27X63J94GR
EPA CompTox DTXSID8046088
Parent Compound: NEFAZODONE

Structure

InChI Key DYCKFEBIOUQECE-UHFFFAOYSA-N
Smiles CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl
InChI
InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H33Cl2N5O2
Molecular Weight 506.48
AlogP 3.55
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 10.0
Polar Surface Area 55.53
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR DailyMed

Target Conservation

Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546
Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Serotonin 2c (5-HT2c) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246
Protein: Serotonin transporter
Description: Sodium-dependent serotonin transporter
Organism : Homo sapiens
P31645 ENSG00000108576

Cross References

Resources Reference
ChEBI 7495
ChEMBL CHEMBL1200492
FDA SRS 27X63J94GR
Guide to Pharmacology 7247
KEGG C07256
PubChem 54911
SureChEMBL SCHEMBL41119
ZINC ZINC00538065
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