CAS 52-49-3|Benzhexol hydrochloride

Introduction:Basic information about CAS 52-49-3|Benzhexol hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameBenzhexol hydrochloride
CAS Number52-49-3Molecular Weight337.927
Density/Boiling Point447.9ºC at 760mmHg
Molecular FormulaC20H32ClNOMelting Point258.5ºC
MSDS/Flash Point211ºC

Names

NameBenzhexol hydrochloride
SynonymMore Synonyms

Benzhexol hydrochloride BiologicalActivity

DescriptionTrihexyphenidyl hydrochloride is an antiparkinsonian agent of the antimuscarinic class, binds to the M1 muscarinic receptor.
Related CatalogSignaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>Neuronal Signaling >>mAChRResearch Areas >>Neurological Disease

Chemical & Physical Properties

Boiling Point447.9ºC at 760mmHg
Melting Point258.5ºC
Molecular FormulaC20H32ClNO
Molecular Weight337.927
Flash Point211ºC
Exact Mass337.217255
PSA23.47000
LogP5.07040
Appearance of Characterssolid | white
InChIKeyQDWJJTJNXAKQKD-UHFFFAOYSA-N
SMILESCl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
Water SolubilityH2O: soluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TN2625000
CHEMICAL NAME :
1-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl-, hydrochloride
CAS REGISTRY NUMBER :
52-49-3
LAST UPDATED :
199706
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C20-H31-N-O.Cl-H
MOLECULAR WEIGHT :
337.98
WISWESSER LINE NOTATION :
T6NTJ A2XQR&- AL6TJ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
800 ug/kg
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Behavioral - toxic psychosis
REFERENCE :
BJPYAJ British Journal of Psychiatry. (Headley Brothers, Ltd., Ashford, Kent TN24 8HH, UK) V.109- 1963- Volume(issue)/page/year: 145,300,1984
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
400 ug/kg/1W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified
REFERENCE :
NEURAI Neurology. (Modern Medicine Pub., Inc., 1 E. First St., Duluth, MN 55802) V.1- 1951- Volume(issue)/page/year: 37,832,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1630 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (4),40,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
195 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,311,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,311,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
217 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,525,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 37,483,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
152 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,311,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
39 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,311,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - parasympatholytic
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 137,375,1962 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5568 No. of Facilities: 59 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 2666 (estimated) No. of Female Employees: 1339 (estimated)

Safety Information

Hazard CodesXn
Risk PhrasesR22
Safety PhrasesS36
RIDADR3249
WGK Germany3
RTECSTN2625000
Packaging GroupIII
Hazard Class6.1(b)
HS Code2933990090

Customs

HS Code2933399090
Summary2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Synonyms

1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)piperidinium chloride
1-Cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-olhydrochlorid
Trihexy
1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride (1:1)
UNII:AO61G82577
1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-olhydrochlorid
1-cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol hydrochloride
1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride (1:1)
pacitane
Broflex
(-)-α-Cyclohexyl-α-phenyl-1-piperidinepropanol hydrochloride
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol hydrochloride
pipanol
1-Cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol hydrochloride (1:1)
1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride, (+)-
tremin
EINECS 205-614-4
Benzhexol HCL
Parkan
paralest
peragit
Sedrina
(+)-α-Cyclohexyl-α-phenyl-1-piperidinepropanol hydrochloride
cyclodol
a-Cyclohexyl-a-phenyl-1-piperidinepropanol Hydrochloride
MFCD00058212
trihexylphenidyl HCl
1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride
1-cyclohexyl-1-phényl-3-pipéridin-1-ylpropan-1-ol chlorhydrate
D,L-Trihexyphenidyl Hydrochloride
1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride, (-)-
Trihexyphenidyl hydrochloride
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