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Chemical structure of Nefazodone

GC69545

Nefazodone

Also known as 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one

Nefazodone is an orally active phenylpiperazine antidepressant· It effectively and selectively blocks postsynaptic 5-HT2A receptors, moderately inhibits the reuptake of serotonin and noradrenaline· Nefazodone can also alleviate the adverse effects of stress response on the immune system in mice· Nefazodone has a high affinity for CYP3A4 isoenzymes, indicating a potential risk for active molecule-active molecule interactions

ChemicalCAS83366-66-9MW470.01FormulaC25H32ClN5O2
CAS number
83366-66-9
Molecular weight
470.01
Formula
C25H32ClN5O2
Solubility
DMSO ： 125 mg/mL (265·95 mM; Need ultrasonic)
InChIKey
VRBKIVRKKCLPHA-UHFFFAOYSA-N
Catalogue number
GC69545
Brand
GLPBIO
Computed properties PubChem CID 4449 · XLogP 4.3 · TPSA 51.6 Ų · H-bond donors 0
XLogP
4.3
TPSA
51.6 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
33

SMILES CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl

Computed descriptors from PubChem (CID 4449), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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