Clidinium BromideProduct ingredient for Clidinium

Name
Clidinium Bromide
Drug Entry
Clidinium

Clidinium is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract. It inhibits muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. It is used for the treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome.

Accession Number
DBSALT000958
Structure
Synonyms
Not Available
External IDs
RO 2-3773 / RO-2-3773
UNII
91ZQW5JF1Z
CAS Number
3485-62-9
Weight
Average: 432.358
Monoisotopic: 431.109607
Chemical Formula
C22H26BrNO3
InChI Key
GKEGFOKQMZHVOW-UHFFFAOYSA-M
InChI
InChI=1S/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1
IUPAC Name
3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methyl-1-azabicyclo[2.2.2]octan-1-ium bromide
SMILES
[Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
ChemSpider
17942
ChEMBL
CHEMBL1200950
Predicted Properties
PropertyValueSource
Water Solubility0.000361 mg/mLALOGPS
logP-0.65ALOGPS
logP-1.1Chemaxon
logS-6.1ALOGPS
pKa (Strongest Acidic)11.05Chemaxon
pKa (Strongest Basic)-4.5Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area46.53 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity112.14 m3·mol-1Chemaxon
Polarizability38.58 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon