Benzhexol hydrochloride structure, CAS 52-49-3

Benzhexol hydrochloride

CAS Number52-49-3

Synonyms1-(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); tremin; EINECS 205-614-4; Benzhexol HCL; Parkan; paralest; peragit; Sedrina; (+)-α-Cyclohexyl-α-phenyl-1-piperidinepropanol hydrochloride; cyclodol;

Molecular FormulaC20H32ClNO

Molecular Weight337.93

Purity98%

Density

Boiling Point447.9ºC at 760mmHg

Melting Point258.5ºC

Flash Point

Appearancesolid | white

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9009352 Purity: 98%
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Quality Control of [ 52-49-3 ] Purity: 98% SDS Specification MoL

Chemical & Physical Properties
CAS Number52-49-3
Catalog No.2A-9009352
Chinese Name盐酸苯海索
Synonyms1-(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); tremin; EINECS 205-614-4; Benzhexol HCL; Parkan; paralest; peragit; Sedrina; (+)-α-Cyclohexyl-α-phenyl-1-piperidinepropanol hydrochloride; cyclodol;
Molecular FormulaC20H32ClNO
Molecular Weight337.93
Purity98
Boiling Point447.9ºC at 760mmHg
Melting Point258.5ºC
Appearancesolid | white
Water SolubilityH2O: soluble
Storage ConditionVentilated and dried at low temperature; stored se
PackagingIII
ApplicationTrihexyphenidyl hydrochloride is an antimuscarinic antiparkinsonian agent that binds to the M1 muscarinic receptor.
HTC2933990090
MDL NumberMFCD00058212
SMILESCl.OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3
InChI1S/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
InChI KeyQDWJJTJNXAKQKD-UHFFFAOYSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbols6.1(b)
MSDSmsds/9352_1_52_49_3.pdf
Use ofProperties Articles25 Name Benzhexol hydrochloride Synonym More Synonyms Benzhexol hydrochloride Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> mAChR Signaling Pathways >> Neuronal Signaling >> mAChR Research Areas >> Neurological Disease Chemical & Physical Properties Exact Mass 337.217255 PSA 23.47000 LogP 5.07040 Appearance of Characters solid | white InChIKey QDWJJTJNXAKQKD-UHFFFAOYSA-N Water Solubility H2O: soluble Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 1-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl-, hydrochloride CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C20-H31-N-O.Cl-H MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T6NTJ A2XQR&- AL6TJ &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : 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 : 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 : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 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 : 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 : 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 : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 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 : 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 : 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 : 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 : 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 Codes Xn Risk Phrases R22 Safety Phrases S36 RIDADR 3249 WGK Germany 3 RTECS TN2625000 Packaging Group III Hazard Class 6.1(b) HS Code 2933990090
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933399090. 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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