盐酸奈法唑酮

Description

Nefazodone HCL · CAS 82752-99-6 · C25H32ClN5O2. UNII 59H4FCV1TF. Melting Point: 83.5; Melting Point: 83-84 °C; Melting Point: 83 - 84 °C.

Identification

CAS Registry Number	82752-99-6
PubChem CID	4449
Molecular formula	C25H32ClN5O2
IUPAC name	2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
UNII (FDA)	59H4FCV1TF

Computed Descriptors

Molecular Weight	470.0
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	469.2244530
Monoisotopic Mass	469.2244530
Topological Polar Surface Area	51.6
Heavy Atom Count	33
Formal Charge	0

Physical & Chemical Properties

Melting Point	83.5
Melting Point	83-84 °C
Melting Point	83 - 84 °C
Solubility	6.98e-02 g/L
LogP	4.7
LogP	4.95
Dissociation Constants	6.5

Physical description & handling notes

• Solid
• Crystals from 2-propanol/heptane
• Crystals from 2-propanol, with slow cooling yields a polymorph. MP: 186.0-187.0 °C. Also reported as crystals from ethanol. Nonhygroscopic. MP. 175-177 °C. Freely solluble in chloroform; soluble in propylene gylcol; slightly soluble in polyethylene glycol, water /Nefazodone hydrchloride/
• 32.6 [ug/mL] (The mean of the results at pH 7.4)
• Stable under recommended storage conditions. /Nefazodone hydrochloride/
• 211.7 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Documented Uses

• Antidepressive Agents, Second-Generation
• Consumption (g per capita) in the USA (2002): 0.0826
• Nefazodone (sold as Serzone, Nefadar) is a psychoactive drug and antidepressant. [wikipedia]
• Preparation: D. L. Temple, Jr., W. G. Lobeck, Jr., United States of America patent 4338317 (1982 to Mead Johnson).
• For the treatment of depression.
• Nefazodone is a serotoninergic modulating antidepressant that is used in therapy of depression, aggressive behavior and panic disorder. Nefazodone therapy has been associated with transient, usually asymptomatic elevations in serum aminotransferase levels and has been linked to several instances of clinically apparent acute liver injury some of which have been fatal.

Synonyms

nefazodone; 83366-66-9; Nefazodona; Nefazodonum; Nefazodonum [Latin]; 1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one; 59H4FCV1TF; CHEBI:7494; 1-(3-(4-(3-Chlorpheyl-1-piperazinylpropyl)-3-ethyl-4,5-dihydro-4-(2-phenoxyethyl)-1,2,4-triazol-5-on; DTXSID2023357; Nefazodonum (Latin); 1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one; 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-ethyl-4-(2-phenoxyethyl)-; 1-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one; RefChem:57773; DTXCID203357

Frequently Asked Questions

What are the CAS number and molecular formula of Nefazodone HCL?

CAS 82752-99-6; molecular formula C25H32ClN5O2; molecular weight — g/mol.

What other names is Nefazodone HCL known by?

nefazodone, 83366-66-9, Nefazodona, Nefazodonum, Nefazodonum [Latin], 1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one.

What are the key physical properties of Nefazodone HCL?

Melting Point: 83.5; Melting Point: 83-84 °C; Melting Point: 83 - 84 °C; Solubility: 6.98e-02 g/L.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.