Tiropramide hydrochlorideProduct ingredient for Tiropramide

Show full entry for Tiropramide
Name
Tiropramide hydrochloride
Drug Entry
Tiropramide

Tiropramide is under investigation in clinical trial NCT01629212 (Comparison of the Efficacy and Safety of Tiropramide and Octylonium in the Treatment of Irritable Bowel Syndrome).

See full entry for Tiropramide
Accession Number
DBSALT003134
Structure
Similar Structures
Synonyms
Tiropramide HCl
External IDs
260-634-0
UNII
9523013Y6R
CAS Number
53567-47-8
Weight
Average: 504.11
Monoisotopic: 503.2914699
Chemical Formula
C28H42ClN3O3
InChI Key
SVCQSEFEZWMYSA-UHFFFAOYSA-N
InChI
InChI=1S/C28H41N3O3.ClH/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4;/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32);1H
IUPAC Name
3-{4-[2-(diethylamino)ethoxy]phenyl}-2-(phenylformamido)-N,N-dipropylpropanamide hydrochloride
SMILES
Cl.CCCN(CCC)C(=O)C(CC1=CC=C(OCCN(CC)CC)C=C1)NC(=O)C1=CC=CC=C1
ChemSpider
118516
Predicted Properties
PropertyValueSource
Water Solubility0.00583 mg/mLALOGPS
logP5.07ALOGPS
logP4.72Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)15.04Chemaxon
pKa (Strongest Basic)9.32Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area61.88 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity139.37 m3·mol-1Chemaxon
Polarizability55.16 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon