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CAS No.: | 511-13-7 |
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Name: | 2-CHLORO-ALPHA-[2-DIMETHYLAMINOETHYL]BENZHYDROL HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C17H20 Cl N O . Cl H |
Molecular Weight: | 326.266 |
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; |
EINECS: | 208-124-9 |
Density: | g/cm3 |
Melting Point: | 190-191° |
Boiling Point: | 429.8°Cat760mmHg |
Flash Point: | 213.7°C |
Hazard Symbols: | T |
Risk Codes: | 25 |
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. |
PSA: | 23.47000 |
LogP: | 4.32960 |
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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. |