Pinaverium bromide supplier | CasNO.53251-94-8

Name
Pinaverium bromide
EINECS 258-450-0
CAS No. 53251-94-8
Article Data2
CAS DataBase
Density
Solubility
Melting Point 159-164 °C
Formula C₂₆H₄₁BrNO₄^.Br
Boiling Point
Molecular Weight 591.424
Flash Point
Transport Information
Appearance white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Morpholinium,4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]-,bromide (9CI);Dicetel;L-Pinaverium bromide;LAT 1717;Pinaverium bromide;
PSA 36.92000
LogP 2.25510

Synthetic route

: 53207-00-4
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene

: 38284-47-8
4-{2-[2-(6,6-dimethyl-norpinan-2-yl)-ethoxy]-ethyl}-morpholine

: 53251-94-8
Pinaverium bromide

Conditions

Conditions	Yield
In butanone Solvent; Reflux;	92.1%

: 1440-61-5
N-chloroacetylmorpholine

: 53251-94-8
Pinaverium bromide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium hydride / tetrahydrofuran / 0 - 20 °C 2: sodium tetrahydroborate; boron trifluoride-tetrahydrofuran complex / tetrahydrofuran / 0 °C 3: butanone / Reflux View Scheme

: 128-50-7
nopol

: 53251-94-8
Pinaverium bromide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: palladium on activated charcoal; hydrogen / ethanol / 20 °C 2: sodium hydride / tetrahydrofuran / 0 - 20 °C 3: sodium tetrahydroborate; boron trifluoride-tetrahydrofuran complex / tetrahydrofuran / 0 °C 4: butanone / Reflux View Scheme

: 4747-61-9
dihydronopol

: 53251-94-8
Pinaverium bromide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium hydride / tetrahydrofuran / 0 - 20 °C 2: sodium tetrahydroborate; boron trifluoride-tetrahydrofuran complex / tetrahydrofuran / 0 °C 3: butanone / Reflux View Scheme

Pinaverium bromide Specification

Pinaverium bromide, with CAS number of 53251-94-8, can be called 4-(2-Bromo-4,5-dimethoxybenzyl)-4-{2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl}morpholin-4-ium bromide; 4-(6-Bromoveratryl)-4-[2-[2-(6,6-dimethyl-2-norpinyl)ethoxy]ethyl]morpholinium Bromide; 4-[(2-Bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]morpholinium Bromide; morpholinium, 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]-, bromide (1:1). It is a white crystalline powder, as an spasmolytic agent with low incidence of anticholinergic effects. Pinaverium bromide is a calcium channel blocker used for the treatment and relief of symptoms associated with irritable bowel syndrome (IBS) and for the treatment of symptoms related to functional disorders of the biliary tract.

Physical properties about Pinaverium bromide are: (1)ACD/LogP: 2.595; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 55.21; (6)ACD/BCF (pH 7.4): 55.21; (7)ACD/KOC (pH 5.5): 614.51; (8)ACD/KOC (pH 7.4): 614.51; (9)#H bond acceptors: 5; (10)#Freely Rotating Bonds: 10;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1;
(2)InChIKey=IKGXLCMLVINENI-UHFFFAOYSA-M;
(3)Smiles[N+]1(Cc2cc(c(OC)cc2Br)OC)(CCOCC1)CCOCC[C@@H]1[C@@H]2C([C@@H](C2)CC1)(C)C.[BrH-]

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	37mg/kg (37mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 182, 1974.
mouse	LD50	subcutaneous	504mg/kg (504mg/kg)		Annales Pharmaceutiques Francaises. Vol. 40, Pg. 133, 1982.

Product Name

Pinaverium bromide

Synthetic route

Pinaverium bromide Specification

Related Products

Hot Products