nefazodone   Click here for help

GtoPdb Ligand ID: 7247

Synonyms: BMY-13754 | MJ-13754-1 | Nefadar®
Approved drug
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
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1994))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5432 nefazodone
Synonyms Click here for help
BMY-13754 | MJ-13754-1 | Nefadar®
Database Links Click here for help
Specialist databases
GPCRdb Ligand nefazodone
Other databases
CAS Registry No. 83366-66-9
DrugBank Ligand DB01149
DrugCentral Ligand 1890
GtoPdb PubChem SID 178103821
PubChem CID 4449
Search Google for chemical match using the InChIKey VRBKIVRKKCLPHA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VRBKIVRKKCLPHA
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UniChem Compound Search for chemical match using the InChIKey VRBKIVRKKCLPHA-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VRBKIVRKKCLPHA-UHFFFAOYSA-N
Wikipedia Nefazodone