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9-Phenanthrenemethanol,1,3-dichloro-alpha-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-,hydrochloride (1:1) (36167-63-2)

Identification
Name:9-Phenanthrenemethanol,1,3-dichloro-alpha-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-,hydrochloride (1:1)
CAS:36167-63-2
EINECS: 252-895-4
Molecular Formula: C26H31Cl3F3NO
Molecular Weight: 536.93
InChI: InChI=1/C26H32Cl2F3NO.ClH/c1-3-5-12-32(13-6-4-2)14-11-24(33)25(28)17-20(27)16-22-21-15-19(26(29,30)31)9-7-18(21)8-10-23(22)25;/h7-10,15-16,24,33H,3-6,11-14,17H2,1-2H3;1H
Molecular Structure: (C26H31Cl3F3NO) 9-Phenanthrenemethanol,1,3-dichloro-a-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-,hydrochloride (9C...
Properties
Flash Point: 314.4°C
Boiling Point: 596.2°Cat760mmHg
Density:1.244g/cm3
Specification:

The IUPAC Name of Halofantrine hydrochloride is 3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol hydrochloride . With the CAS registry number 36167-63-2, it is also named as 1,3-Dichloro-alpha-[2-(dibutylamino)ethyl]-6- (trifluoromethyl)-9-phenathrenemethanol hydrochloride and (+-)-Halofantrine hydrochloride . In addition, it belongs to classification code such as Anti-Infective Agents, Antimalarial and Antimalarials, it is storage at 2-8 °C.

This product is used in treatment of mild to moderate acute malaria. It is an antimalarial drug available as tablets containing 250 mg of halofantrine hydrochloride (equivalent to 233 mg of the free base) for oral administration. And this drug, a white to off-white crystalline compound, is practically insoluble in water. 

The other characteristics of this product can be summarized as: (1)H bond acceptors: 2; (2)H bond donors: 1; (3)Freely Rotating Bonds: 11; (4)Flash Point: 313.3 °C; (5)Enthalpy of Vaporization: 93.17 kJ/mol; (6)Boiling Point: 594.3 °C at 760 mmHg; (7)Vapour Pressure: 5.67E-15 mmHg at 25 °C (8) EINECS: 252-895-4.

When you are using this chemical, please be cautious about it as the following: It is moderately toxic by ingestion and intraperitoneal routes. Human systemic effects by ingestion: nausea or vomiting and other gastrointestinal effects, and it is an experimental teratogen. Moreover, it has experimental reproductive effects. When heated to decomposition it emits toxic fumes of F-, NOx, and HCl. The toxicity of Halofantrine hydrochloride as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 7143ug/kg (7.143mg/kg) LIVER: LIVER FUNCTION TESTS IMPAIRED

KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED

KIDNEY, URETER, AND BLADDER: HEMATURIA		 Lancet. Vol. 340, Pg. 909, 1992.
man TDLo oral 7143ug/kg (7.143mg/kg) LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED"

KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED

BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA		 Lancet. Vol. 340, Pg. 909, 1992.
man TDLo oral 18mg/kg/D (18mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: OTHER CHANGES		 Drugs of the Future. Vol. 5, Pg. 547, 1980.
rat LD50 intraperitoneal 2050mg/kg (2050mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Acta Tropica. Vol. 37, Pg. 232, 1980.
rat LD50 oral 3400mg/kg (3400mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Acta Tropica. Vol. 37, Pg. 232, 1980.
women LDLo oral 72mg/kg/3D-I (72mg/kg) CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION Lancet. Vol. 341, Pg. 1054, 1993.
 

Flash Point: 314.4°C
Storage Temperature: 2-8°C
Safety Data
 

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