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Chlophedianol hydrochloride

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Name

Chlophedianol hydrochloride

EINECS 208-124-9
CAS No. 511-13-7 Density g/cm3
Solubility Melting Point
Formula C17H20 Cl N O . Cl H Boiling Point 429.8°Cat760mmHg
Molecular Weight 326.29 Flash Point 213.7°C
Transport Information Appearance
Safety Poison by ingestion, subcutaneous, intramuscular, intravenous, and intraperitoneal routes. Experimental reproductive effects. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx and HCl. Risk Codes
Molecular Structure Molecular Structure of 511-13-7 (Benzenemethanol,2-chloro-a-[2-(dimethylamino)ethyl]-a-phenyl-, hydrochloride (1:1)) Hazard Symbols
Synonyms

Benzenemethanol,2-chloro-a-[2-(dimethylamino)ethyl]-a-phenyl-, hydrochloride (9CI);Benzhydrol, 2-chloro-a-[2-(dimethylamino)ethyl]-, hydrochloride (7CI,8CI);1-o-Chlorophenyl-1-phenyl-3-dimethylamino-1-propanol hydrochloride;2-Chloro-a-[2-(dimethylamino)ethyl]benzhydrolhydrochloride;Chlophedianol hydrochloride;Clofedanol hydrochloride;Coldrin;Detigon;Pectolitan;Refugal;SK 74;SL 501;ULO;Ulone;a-(2-Dimethylaminoethyl)-o-chlorobenzhydrolhydrochloride;

 

Chlophedianol hydrochloride Specification

Chlophedianol hydrochloride, with the CAS NO. 511-13-7, it is also called 1-o-Chlorophenyl-1-phenyl-3-dimethylamino-1-propanol; hydrochloride; 2-Chloro-alpha-(2-(dimethylamino)ethyl)benzhydrol; hydrochloride; Bayer B-186; Bayer-186.  It is colorless crystal or white crystalline powder and solubility:Soluble in water, methanol, ethanol, insoluble in ether, benzene, ethyl acetate. Chlophedianol hydrochloride(CAS NO.511-13-7) is non-narcotic antitussives.

Physical properties about Chlophedianol hydrochloride are: (1)ACD/LogP: 3.808; (2)ACD/LogD (pH 5.5): 0.84; (3)ACD/LogD (pH 7.4): 2.16; (4)ACD/BCF (pH 5.5): 1.00 ; (5)ACD/BCF (pH 7.4): 10.29; (6)ACD/KOC (pH 5.5): 3.01 ; (7)ACD/KOC (pH 7.4): 62.61; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Flash Point: 213.7 °C; (12)Enthalpy of Vaporization: 72.22 kJ/mol; (13)Boiling Point: 429.8 °C at 760 mmHg; (14)Vapour Pressure: 3.77E-08 mmHg at 25°C

When you are using Chlophedianol hydrochloride, please be cautious about it as the following:
1. Wear suitable protective clothing, gloves and eye/face protection;
2. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);

You can still convert the following datas into molecular structure:
(1)InChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H;
(2)InChIKey=XYGSFNHCFFAJPO-UHFFFAOYSA-N;
(3)Smilesc1cc(c(Cl)cc1)[C@@](c1ccccc1)(O)CCN(C)C.Cl;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 80mg/kg (80mg/kg)   United States Patent Document. Vol. #3031377,
dog LD50 oral 84mg/kg (84mg/kg)   Yakkyoku. Pharmacy. Vol. 32, Pg. 1281, 1981.
guinea pig LDLo subcutaneous 130mg/kg (130mg/kg)   United States Patent Document. Vol. #3031377,
mammal (species unspecified) LD50 subcutaneous 186mg/kg (186mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 369, 1972.
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Gendai no Rinsho. Vol. 7, Pg. 177, 1973.
mouse LD50 intravenous 42mg/kg (42mg/kg)   Therapie. Vol. 15, Pg. 93, 1960.
 
mouse LD50 oral 284mg/kg (284mg/kg)   Therapie. Vol. 15, Pg. 93, 1960.
 
mouse LD50 subcutaneous 95mg/kg (95mg/kg)   United States Patent Document. Vol. #3031377,
rabbit LDLo subcutaneous > 50mg/kg (50mg/kg)   United States Patent Document. Vol. #3031377,
rat LD50 intramuscular 268mg/kg (268mg/kg)   Gendai no Rinsho. Vol. 7, Pg. 177, 1973.
rat LD50 intraperitoneal 295mg/kg (295mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 933, 1981.
rat LD50 intravenous 53mg/kg (53mg/kg)   Gendai no Rinsho. Vol. 7, Pg. 177, 1973.
rat LD50 oral 350mg/kg (350mg/kg)   United States Patent Document. Vol. #3031377,
rat LD50 subcutaneous 440mg/kg (440mg/kg)   Gendai no Rinsho. Vol. 7, Pg. 177, 1973.

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