Products Categories
| CAS No.: | 82752-99-6 |
|---|---|
| Name: | Nefazodone hydrochloride |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| Formula: | C25H33Cl2N5O2 |
| Molecular Weight: | 506.475 |
| Synonyms: | Nefazodone hydrochloride;1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta(sup 2)-1,2,4-triazolin-5-one monohydrochloride;3H-1,2,4-Triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl))propyl)-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-, monohydrochloride;BMY 13754;Dutonin;Nefazodone;Reseril;Serzone; |
| Melting Point: | 186-188 °C |
| Boiling Point: | 599.6 °C at 760 mmHg |
| Flash Point: | 316.4 °C |
| Solubility: | DMSO: ~11 mg/mL at 60 °C |
| Appearance: | white solid |
| Safety: | 22-24/25 |
| PSA: | 55.53000 |
| LogP: | 4.35680 |
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
What can I do for you?
Get Best Price
Specification
The IUPAC name of Nefazodone HCl is 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one hydrochloride. With the CAS registry number 82752-99-6, it is also named as 1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta(sup 2)-1,2,4-triazolin-5-one monohydrochloride. The product's categories are Active Pharmaceutical Ingredients; Serotonin Receptor. It is white solid which is active in models predictive of antidepressant potential. Additionally, people should not breathe dust of this chemical and avoid contact with skin and eyes.
The other characteristics of Nefazodone HCl can be summarized as: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 8.42; (6)ACD/BCF (pH 7.4): 227.19; (7)ACD/KOC (pH 5.5): 59.83; (8)ACD/KOC (pH 7.4): 1614.88; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 51.62 Å2; (13)Flash Point: 316.4 °C; (14)Enthalpy of Vaporization: 89.26 kJ/mol; (15)Boiling Point: 599.6 °C at 760 mmHg; (16)Vapour Pressure: 2.46E-14 mmHg at 25°C; (17)Rotatable Bond Count: 10; (18)Exact Mass: 505.201131; (19)MonoIsotopic Mass: 505.201131; (20)Topological Polar Surface Area: 51.6; (21)Heavy Atom Count: 34; (22)Complexity: 649
People can use the following data to convert to the molecule structure.
1. Canonical SMILES: CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl
2. InChI: InChI=1S/C25H32ClN5O2.ClH/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;1H
3. InChIKey: DYCKFEBIOUQECE-UHFFFAOYSA-N
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| women | TDLo | oral | 1333ug/kg (1.333mg/kg) | BEHAVIORAL: ATAXIA | Veterinary and Human Toxicology. Vol. 41, Pg. 321, 1999. |