Pinaverium bromideProduct ingredient for Pinaverium
- Name
- Pinaverium bromide
- Drug Entry
- Pinaverium
Pinaverium is a spasmolytic agent used for functional gastrointestinal disorders. It is a quaternary ammonium compound that acts as an atypical calcium antagonist to restore normal bowel function. It is shown to relieve GI spasm and pain, transit disturbances and other symptoms related to motility disorders 1 and may be considered as effective first-lline therapy for patients with irritable bowel syndrome (IBS) 5. Pinaverium bromide is the common ingredient in formulations, mostly as oral tablets. Although it is not a currently approved drug by the FDA, pinaverium is available in over 60 countries including Canada.
- Accession Number
- DBSALT001130
- Structure
- Synonyms
- Not Available
- UNII
- 7SCF54H12J
- CAS Number
- 53251-94-8
- Weight
- Average: 591.425
Monoisotopic: 589.140235 - Chemical Formula
- C26H41Br2NO4
- InChI Key
- IKGXLCMLVINENI-UHFFFAOYSA-M
- 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
- IUPAC Name
- 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-(2-{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}ethoxy)ethyl]morpholin-4-ium bromide
- SMILES
- [Br-].COC1=C(OC)C=C(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)C(Br)=C1
- External Links
- ChemSpider
- 37181
- ChEMBL
- CHEMBL1909298
- Wikipedia
- Pinaverium_bromide
- Predicted Properties
Property Value Source Water Solubility 5.88e-06 mg/mL ALOGPS logP 2.68 ALOGPS logP 0.67 Chemaxon logS -8 ALOGPS pKa (Strongest Acidic) 17.16 Chemaxon pKa (Strongest Basic) -3.8 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 36.92 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 143.32 m3·mol-1 Chemaxon Polarizability 54.42 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon