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
ChemSpider
16715
ChEMBL
CHEMBL1446650
Predicted Properties
PropertyValueSource
Water Solubility0.0029 mg/mLALOGPS
logP4.87ALOGPS
logP4.89Chemaxon
logS-5.2ALOGPS
pKa (Strongest Basic)10.31Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area57.23 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity123.54 m3·mol-1Chemaxon
Polarizability49.66 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon