mebeverine

Ligand id: 9011

Name: mebeverine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 14
Topological polar surface area 57.23
Molecular weight 429.25
XLogP 5.11
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (UK (1978))
IUPAC Name
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate
International Nonproprietary Names
INN number INN
1191 mebeverine
Synonyms
Colofac® | CSAG-144 | Duspatalin®
Database Links
CAS Registry No. 3625-06-7
ChEMBL Ligand CHEMBL282121
PubChem CID 4031
Search Google for chemical match using the InChIKey VYVKHNNGDFVQGA-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey VYVKHNNGDFVQGA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VYVKHNNGDFVQGA
Comments
Mebeverine is a musculotropic antispasmodic drug. Marketed formulations contain the hydrochloride salt (PubChem CID 17683) which is sometimes combined with ispaghula husk (sold as Fybogel®) to add fibre to the gut contents.