CAS No.524-83-4,Etybenzatropine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	524-83-4
Name:	Etybenzatropine

Formula:	C₂₂H₂₇NO
Molecular Weight:	321.462
Synonyms:	1aH,5aH-Nortropane, 3a-(diphenylmethoxy)-8-ethyl- (8CI);8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-ethyl-, endo-;3-(Diphenylmethoxy)-8-ethyl-8-azabicyclo[3.2.1]octane;3-(Diphenylmethoxy)-8-ethylnortropane;Ethybenztropine;Ethylbenztropine;Etybenzatropine;N-Ethyl-8-aza-3-bicyclo[3.2.1]octyl benzhydryl ether;N-Ethylbenztropine;N-Ethylnortropine benzhydryl ether;Panolid;Ponalid;Ponalide;Tropethydrylin;UK 738;
Density:	1.1g/cm³
Boiling Point:	422.8 °C at 760 mmHg
Flash Point:	124 °C
PSA:	12.47000
LogP:	4.74580

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Specification

This chemical is called 3-(Diphenylmethoxy)-8-ethylnortropane, and it can also be named as Ethybenztropine [USAN:BAN]. With the molecular formula of C₂₂H₂₇NO, its molecular weight is 321.50. The CAS registry number of this chemical is 524-83-4, and its classification code is Anticholinergic.

Other characteristics of the 3-(Diphenylmethoxy)-8-ethylnortropane can be summarised as followings: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 7.06; (6)ACD/BCF (pH 7.4): 12.29; (7)ACD/KOC (pH 5.5): 18.59; (8)ACD/KOC (pH 7.4): 32.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 99.21 cm³; (15)Molar Volume: 291 cm³; (16)Polarizability: 39.33×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 124 °C; (20)Enthalpy of Vaporization: 67.7 kJ/mol; (21)Boiling Point: 422.8 °C at 760 mmHg; (22)Vapour Pressure: 2.35E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCN4[C@@H]1CC[C@H]4C[C@H](C1)OC(c2ccccc2)c3ccccc3
2.InChI: InChI=1/C22H27NO/c1-2-23-19-13-14-20(23)16-21(15-19)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-22H,2,13-16H2,1H3/t19-,20+,21+
3.InChIKey: PHTMLLGDZBZXMW-AERCQKQUBH

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	12mg/kg (12mg/kg)	AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC	European Journal of Pharmacology. Vol. 9, Pg. 304, 1970. Link to PubMed
mouse	LDLo	oral	66mg/kg (66mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 228, 1972.
rabbit	LDLo	intravenous	6mg/kg (6mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 228, 1972.
rabbit	LDLo	oral	215mg/kg (215mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 228, 1972.
rat	LD50	intravenous	18500ug/kg (18.5mg/kg)		French Medicament Patent Document. Vol. #2235M,
rat	LDLo	oral	560mg/kg (560mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 228, 1972.