Product Name

  • Name

    Naftopidil 2HCl

  • EINECS 200-258-5
  • CAS No. 57149-08-3
  • Density 1.184g/cm3
  • Solubility methanol: >10 mg/mL
  • Melting Point 212-213°
  • Formula C24H28N2O3
  • Boiling Point 602.8 °C at 760 mmHg
  • Molecular Weight 428.959
  • Flash Point 318.3 °C
  • Transport Information
  • Appearance white solid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 57149-08-3 (Naftopidil 2HCl)
  • Hazard Symbols
  • Synonyms NAFTOPIDIL 2HCL;4-(2-METHOXYPHENYL)-A-[(1-NAPHTHALENYLOXY)METHYL]-1-PIPERAZINEETHANOL, DIHYDROCHLORIDE;4-(2-METHOXYPHENYL)-ALPHA-([1-NAPHTHALENYLYOXY]METHYL)-1-PIPERAZINEETHANOL DIHYDROCHLORIDE;KT-611 DIHYDROCHLORIDE;4-(2-Methoxyphenyl)-a-[(1-naphthalenyloxy)methyl]-1-piperazineethanol,2HCl;Naftopidil HCL;3-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one dihydrochloride;1-[4-(2-Methoxyphenyl)-1-piperazinyl]-3-(1-naphthoxy)-2-propanol dihydrochloride
  • PSA 45.17000
  • LogP 5.01720

Naftopidil dihydrochloride Specification

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.

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