CAS No.54556-98-8,Propiverine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54556-98-8
Name:	Propiverine hydrochloride
Article Data:	2

Formula:	C₂₃H₂₉NO₃^.HCl
Molecular Weight:	403.949
Synonyms:	Aceticacid, diphenylpropoxy-, 1-methyl-4-piperidyl ester, hydrochloride (7CI);Benzeneacetic acid, a-phenyl-a-propoxy-,1-methyl-4-piperidinyl ester, hydrochloride (9CI);Mictonetten;Mictonorm;P 4;Pollarine;Propiverine hydrochloride;Acetic acid, diphenylpropoxy-, 1-methyl-4-piperidyl ester, hydrochloride;
Melting Point:	224-226 °C
Boiling Point:	484.2 °C at 760 mmHg
Flash Point:	246.6 °C
Appearance:	Off-white solid
Hazard Symbols:	Xi
Risk Codes:	37/38-41
Safety:	26-39
PSA:	38.77000
LogP:	4.73410

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Specification

The Propiverine hydrochloride, with the CAS registry number 54556-98-8, is also known as 1-Methyl-4-piperidyl diphenylpropoxyacetate hydrochloride. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₂₃H₂₉NO₃^.HCl and molecular weight is 403.95. What's more, its systematic name is 4-[2,2-Diphenyl(propoxy)acetoxy]-1-methylpiperidinium chloride. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Reproductive Effect. It is used in treatment of urinary incontinence.

Physical properties of Propiverine hydrochloride are: (1)ACD/LogP: 5.968; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 5.01; (5)ACD/BCF (pH 5.5): 47.19; (6)ACD/BCF (pH 7.4): 2222.48; (7)ACD/KOC (pH 5.5): 98.13; (8)ACD/KOC (pH 7.4): 4621.04; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 35.53 Å²; (13)Flash Point: 246.6 °C; (14)Enthalpy of Vaporization: 74.94 kJ/mol; (15)Boiling Point: 484.2 °C at 760 mmHg; (16)Vapour Pressure: 1.57E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(OC1CC[NH+](C)CC1)C(OCCC)(c2ccccc2)c3ccccc3
(2)Std. InChI: InChI=1S/C23H29NO3.ClH/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H
(3)Std. InChIKey: KFUJMHHNLGCTIJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intravenous	29mg/kg (29mg/kg)		German Vol. #139212.
rat	LD50	oral	2250mg/kg (2250mg/kg)		German Vol. #139212.