Cimetropium Bromide

Status : experimental

Therapeutic Classification

BELLADONNA AND DERIVATIVES, PLAIN

ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
BELLADONNA AND DERIVATIVES, PLAIN

Description

Cimetropium bromide is a belladonna derivative. It is a potent antimuscarinic and an effective antispasmodic drug. It is also endowed of a direct myolitic action which partially accounts for its antispasmodic activity. It has never been approved for use in the U.S. or Canada.

Chemical Classification

This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

Beta hydroxy acids and derivatives

Organic compounds

Organic acids and derivatives

Hydroxy acids and derivatives

Beta hydroxy acids and derivatives

Calculated Property

kind Value Source
logP -0.91 ALOGPS
logS -5.5 ALOGPS
Water Solubility 1.40e-03 g/l ALOGPS
Molecular Weight 438.362 ChemAxon
Monoisotopic Weight 437.120171 ChemAxon
SMILES [Br-].C[N+]1(CC2CC2)C2CC(CC1C1OC21)OC(=O)[C@H](CO)C1=CC=CC=C1 ChemAxon
Molecular Formula C21H28BrNO4 ChemAxon
InChI InChI=1S/C21H28NO4.BrH/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14;/h2-6,13,15-20,23H,7-12H2,1H3;1H/q+1;/p-1/t15?,16-,17?,18?,19?,20?,22?;/m1./s1 ChemAxon
InChIKey WDURTRGFUGAJHA-BITHUKPRSA-M ChemAxon