Nefazodone hydrochloride

Base Information

• Chemical Name: Nefazodone hydrochloride
• CAS No.: 82752-99-6
• Molecular Formula: C25H33Cl2N5O2
• Molecular Weight: 506.475
• Hs Code.: 2933595960
• European Community (EC) Number: 875-483-1
• UNII: 27X63J94GR
• DSSTox Substance ID: DTXSID8046088
• Wikidata: Q27107509
• NCI Thesaurus Code: C29283
• RXCUI: 236082
• ChEMBL ID: CHEMBL1200492
• Mol file: 82752-99-6.mol

Synonyms:Apo-Nefazodone;Dutonin;Lin-Nefazodone;Menfazona;Nefadar;nefazodone;nefazodone hydrochloride;Rulivan;Serzone

Chemical Property of Nefazodone hydrochloride

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 2.46E-14mmHg at 25°C
• Melting Point: 186-188 °C
• Boiling Point: 599.6 °C at 760 mmHg
• Flash Point: 316.4 °C
• PSA: 55.53000
• LogP: 4.35680
• Storage Temp.: Desiccate at RT
• Solubility.: DMSO: ~11 mg/mL at 60 °C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 505.2011307
• Heavy Atom Count: 34
• Complexity: 649

Purity/Quality:

99.9% ^*data from raw suppliers

Nefazodone hydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl
• Description: Nefazodone, a second generation trazodone type antidepressant, was launched in Canada. Nefazodone acts as both a potent 5-HT2 receptor antagonist and as a serotonin (5-HT) reuptake inhibitor. This combination effect appears to enhance 5-HTIA-mediated neurotransmission. Distinct from the first generation agents such as tricyclic antidepressants, nefazodone has very selective serotonergic effects with negligible affinity for cholinergic and histamine receptors, and low affinity for a1 -adrenergic receptors. Therefore, it has a superior toxicity profile that does not produce agitation, insomnia, and lacks cardiac side effects.
• Uses: An antidepressant acts by modifying serotonin transmission. Mixed 5-HT2A serotonin receptor antagonist/serotonin uptake inhibitor A selective serotonin 5-HT2 receptor antagonist. A novel antidepressant that shows no cardiac toxicity or anticholinergic activity common with tricyclic antidepressants.
• Therapeutic Function: Antidepressant

Technology Process of Nefazodone hydrochloride

There total 2 articles about Nefazodone hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

→ BMY 13754 (82752-99-6)

Guidance literature:

Reference yield: 62.5%

5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one (95885-13-5) + 1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride (52605-52-4) → BMY 13754 (82752-99-6)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In dichloromethane; isopropyl alcohol;

upstream raw materials:

5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one

1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride