Mebeverine hydrochlorideProduct ingredient for Mebeverine
- Name
- Mebeverine hydrochloride
- Drug Entry
- Mebeverine
Mebeverine has been investigated for the treatment of Irritable Bowel Syndrome and Post-cholecystectomy Gastrointestinal Spasms.
- Accession Number
- DBSALT002971
- Structure
- Synonyms
- Mebeverine HCl / Mebeverine hydrochloride
- External IDs
- CSAG 144 / CSAG-144
- UNII
- 15VZ5AL4JN
- CAS Number
- 2753-45-9
- Weight
- Average: 466.02
Monoisotopic: 465.228201 - Chemical Formula
- C25H36ClNO5
- InChI Key
- PLGQWYOULXPJRE-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H
- IUPAC Name
- 4-{ethyl[1-(4-methoxyphenyl)propan-2-yl]amino}butyl 3,4-dimethoxybenzoate hydrochloride
- SMILES
- Cl.CCN(CCCCOC(=O)C1=CC(OC)=C(OC)C=C1)C(C)CC1=CC=C(OC)C=C1
- External Links
- ChemSpider
- 16715
- ChEMBL
- CHEMBL1446650
- Predicted Properties
Property Value Source Water Solubility 0.0029 mg/mL ALOGPS logP 4.87 ALOGPS logP 4.89 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) 10.31 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 57.23 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 123.54 m3·mol-1 Chemaxon Polarizability 49.66 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon