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CAS No.: | 57149-07-2 | |||
---|---|---|---|---|
Name: | Naftopidil dihydrochloride | |||
Article Data: | 6 | |||
Molecular Structure: | ||||
Formula: | C24H28N2O3 | |||
Molecular Weight: | 392.498 | |||
Synonyms: | 3-[4-(2-Methoxyphenyl)piperazinyl]-1-naphthyloxypropan-2-ol;Avishot;Flivas;KT 611;Naftopidil;Naftopil; | |||
EINECS: | 692-531-5 | |||
Density: | 1.184 g/cm3 | |||
Melting Point: | 127 °C | |||
Boiling Point: | 602.8 °C at 760 mmHg | |||
Flash Point: | 318.3 °C | |||
Solubility: | methanol: >10 mg/mL | Off-White Solid | ||
PSA: | 45.17000 | |||
LogP: | 3.41320 |
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The Naftopidil dihydrochloride dihydrochloride is an organic compound with the formula C24H28N2O3.2HCl. The IUPAC name of this chemical is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol. With the CAS registry number 57149-07-2, it is also named as 1-(2-Methoxyphenyl)-4-[3-(naphth-1-yloxy)-2-hydroxypropyl]-piperazine. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals; Adrenoceptor. Besides, it is an off-white solid, which should be stored in a closed cool and well-ventilated place. It is a new anti-hypertension drug to treat hypertension.
Physical properties about Naftopidil dihydrochloride dihydrochloride are: (1)ACD/LogP: 4.81; (2)ACD/LogD (pH 5.5): 3.45; (3)ACD/LogD (pH 7.4): 4.7; (4)ACD/BCF (pH 5.5): 116.62; (5)ACD/BCF (pH 7.4): 2068.77; (6)ACD/KOC (pH 5.5): 430.67; (7)ACD/KOC (pH 7.4): 7639.84; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 34.17Å2; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 116.24 cm3; (14)Molar Volume: 331.2 cm3; (15)Polarizability: 46.08×10-24cm3; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.184 g/cm3; (18)Flash Point: 318.3 °C; (19)Enthalpy of Vaporization: 94.29 kJ/mol; (20)Boiling Point: 602.8 °C at 760 mmHg; (21)Vapour Pressure: 2.22E-15 mmHg at 25°C.
Preparation: this chemical can be prepared by α-naphthol, tetrabutyl ammonium bromide and epichlorohydrin at temperature of 110 °C. This reaction will need reagent Sodium hydroxide and ethanol.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(CN2CCN(c1ccccc1OC)CC2)COc4c3ccccc3ccc4
(2)InChI: InChI=1/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
(3)InChIKey: HRRBJVNMSRJFHQ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
(5)Std. InChIKey: HRRBJVNMSRJFHQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | oral | > 5gm/kg (5000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 41, Pg. 2404, 1999. | |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 41, Pg. 2404, 1999. |