nefazodone   

GtoPdb Ligand ID: 7247

Synonyms: BMY-13754 | MJ-13754-1 | Nefadar®
nefazodone is an approved drug (FDA (1994))
Compound class: Synthetic organic
Comment: Nefazodone is an antidepressant.
Marketed formulations may contain nefazodone hydrochloride (PubChem CID 54911).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 55.53
Molecular weight 469.22
XLogP 4.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl
Isomeric SMILES CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl
InChI InChI=1S/C25H32ClN5O2/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
InChI Key VRBKIVRKKCLPHA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1994))
IUPAC Name
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
International Nonproprietary Names
INN number INN
5432 nefazodone
Synonyms
BMY-13754 | MJ-13754-1 | Nefadar®
Database Links
CAS Registry No. 83366-66-9
ChEMBL Ligand CHEMBL623
DrugBank Ligand DB01149
DrugCentral Ligand 1890
GtoPdb PubChem SID 178103821
PubChem CID 4449
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Wikipedia Nefazodone