Benzhexol hydrochloride supplier

Name
Benzhexol hydrochloride
EINECS 200-142-5
CAS No. 52-49-3
Article Data3
CAS DataBase
Density 0.9801 (rough estimate)
Solubility soluble in water
Melting Point 258.5oC
Formula C₂₀H₃₂ClNO
Boiling Point 447.9 °C at 760 mmHg
Molecular Weight 337.933
Flash Point 211 °C
Transport Information
Appearance
Safety 36
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Piperidinepropanol,a-cyclohexyl-a-phenyl-, hydrochloride(6CI,7CI,8CI,9CI);1-Phenyl-1-cyclohexyl-3-piperidyl-1-propanol hydrochloride;3-(1-Piperidyl)-1-cyclohexyl-1-phenyl-1-propanol hydrochloride;Benzhexolhydrochloride;Broflex;Paralest;Pargitan;Parkinol;Parkisan;Partigan;Pipanol;Sedrina;Trihexy;Trihexyphenidyl chlorhydrate;Triphedinon;Triphenidyl;Tsiklodol;a-Cyclohexyl-a-phenyl-1-piperidinepropanolhydrochloride;
PSA 23.47000
LogP 5.07040

Benzhexol hydrochloride Specification

The Benzhexol hydrochloride with CAS registry number of 52-49-3 is also called 3-(1-Piperidyl)-1-phenyl-1-cyclohexyl-1-propanol hydrochloride. The IUPAC name is 1-cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride (1:1). Its EINECS registry number is 200-142-5. In addition, the formula is C₂₀H₃₂ClNO and the molecular weight is 337.92718. It should be stored in a ventilation and low-temperature drying environment and separated from food raw materials. What's more, it is a kind of muscarinic antagonists. And it can treat parkinsonian disorders and drug-induced extrapyramidal movement disorders.

Physical properties about Benzhexol hydrochloride are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 1.29; (6)ACD/BCF (pH 7.4): 7.33; (7)ACD/KOC (pH 5.5): 5.58; (8)ACD/KOC (pH 7.4): 31.8; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å²; (13)Flash Point: 211 °C; (14)Enthalpy of Vaporization: 74.43 kJ/mol; (15)Boiling Point: 447.9 °C at 760 mmHg; (16)Vapour Pressure: 8.34E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.OC(c1ccccc1)(CCN2CCCCC2)C3CCCCC3
(2)InChI: InChI=1/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H
(3)InChIKey: QDWJJTJNXAKQKD-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	subcutaneous	320mg/kg (320mg/kg)	AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 375, 1962.
man	TDLo	oral	400ug/kg/1W-I (0.4mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE	Neurology. Vol. 37, Pg. 832, 1987.
mouse	LD50	intraperitoneal	150mg/kg (150mg/kg)		Pharmazie. Vol. 37, Pg. 483, 1982.
mouse	LD50	intravenous	39mg/kg (39mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 311, 1972.
mouse	LD50	oral	217mg/kg (217mg/kg)		Drugs in Japan Vol. 6, Pg. 525, 1982.
mouse	LD50	subcutaneous	152mg/kg (152mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 311, 1972.
rat	LD50	intraperitoneal	195mg/kg (195mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 311, 1972.
rat	LD50	intravenous	30mg/kg (30mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 311, 1972.
rat	LD50	oral	1630mg/kg (1630mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Toksikologicheskii Vestnik. Vol. (4), Pg. 40, 1994.
women	TDLo	oral	800ug/kg (0.8mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: TOXIC PSYCHOSIS	British Journal of Psychiatry. Vol. 145, Pg. 300, 1984.

Product Name

Benzhexol hydrochloride

Benzhexol hydrochloride Specification

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