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Pinaverium Bromide

CAT: 0572-TRC-P465000-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P465000-10MGSize:10 mg
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CAS Number
53251-94-8
Synonyms
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); 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; Eldicet; L-Pinaverium bromide; LAT 1717; Pinaverium bromide
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[Br-].COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC
Molecular Formula
C26 H41 Br N O4 . Br
Molecular Weight
591.42
InChI
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
Additionnal Information
IUPAC name: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium;bromide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pinaverium Bromide

Pinaverium Bromide is an orally available bromide salt form of pinaverium, a calcium channel blocker (CCB) with antispasmodic activity. Upon oral administration, pinaverium blocks the voltage-dependent calcium channels and inhibits calcium ion influx into the smooth muscle cells located in the gastrointestinal (GI) tract. This prevents smooth muscle contraction and relaxes the GI tract. In addition, pinaverium may both reduce bowel uptake of and facilitate the function of locally active, co-administered drugs.

CAS Number53251-94-8
PubChem CID40703
IUPAC Name4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium bromide
Molecular FormulaC26H41Br2NO4
Molecular Weight591.4
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity596
SMILES
CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-]
InChI
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
InChIKey
IKGXLCMLVINENI-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Pinaverium Bromide
CAS: 53251-94-8
CID: 40703
Formula: C26H41Br2NO4
MW: 591.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass591.13818
Monoisotopic Mass589.14023
Topological Polar Surface Area36.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-111613R-01Pinaverium bromide (Standard)
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