CHEBI:7494 - nefazodone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name nefazodone
ChEBI ID CHEBI:7494
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C25H32ClN5O2
Net Charge 0
Average Mass 470.00700
Monoisotopic Mass 469.22445
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
InChIKey VRBKIVRKKCLPHA-UHFFFAOYSA-N
SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
serotonin uptake inhibitor
A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.
alpha-adrenergic antagonist
An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
analgesic
An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
Application(s): antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
serotonin uptake inhibitor
A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.
alpha-adrenergic antagonist
An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
analgesic
An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing nefazodone (CHEBI:7494) has role α-adrenergic antagonist (CHEBI:37890)
nefazodone (CHEBI:7494) has role analgesic (CHEBI:35480)
nefazodone (CHEBI:7494) has role antidepressant (CHEBI:35469)
nefazodone (CHEBI:7494) has role serotonergic antagonist (CHEBI:48279)
nefazodone (CHEBI:7494) has role serotonin uptake inhibitor (CHEBI:50949)
nefazodone (CHEBI:7494) is a N-alkylpiperazine (CHEBI:46845)
nefazodone (CHEBI:7494) is a N-arylpiperazine (CHEBI:46848)
nefazodone (CHEBI:7494) is a aromatic ether (CHEBI:35618)
nefazodone (CHEBI:7494) is a monochlorobenzenes (CHEBI:83403)
nefazodone (CHEBI:7494) is a triazoles (CHEBI:35727)
Incoming nefazodone hydrochloride (CHEBI:7495) has part nefazodone (CHEBI:7494)
IUPAC Name
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
INNs Sources
nefazodona WHO MedNet
nefazodone WHO MedNet
nefazodonum WHO MedNet
Synonyms Sources
1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one ChemIDplus
néfazodone ChEBI
Nefazodone KEGG COMPOUND
Manual Xrefs Databases
1890 DrugCentral
C07256 KEGG COMPOUND
D08257 KEGG DRUG
DB01149 DrugBank
LSM-4031 LINCS
Nefazodone Wikipedia
US4338317 Patent
View more database links
Registry Numbers Types Sources
4728403 Beilstein Registry Number Beilstein
83366-66-9 CAS Registry Number ChemIDplus
Last Modified
22 February 2017