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Basic information

  • Name:
  • 1-Piperidinepropanol, a-cyclohexyl-a-phenyl-, hydrochloride (1:1)

  • Superlist Name:
  • Benzhexol hydrochloride
  • CAS No.:
  • 52-49-3

  • Molecular Structure:
  • Formula:
  • C20H32ClNO
  • Molecular Weight:
  • 337.93
  • Deleted CAS:
  • 58947-95-8
  • 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;
  • EINECS:
  • 200-142-5
  • Boiling Point:
  • 447.9 °C at 760 mmHg
  • Flash Point:
  • 211 °C
  • Solubility:
  • soluble in water
  • Hazard Symbols:
  • HarmfulXn
  • Risk Codes:
  • 22
  • Safety Description:
  • 36 Details

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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.

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