Tiropramide hydrochlorideProduct ingredient 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).
- Accession Number
- DBSALT003134
- Structure
- 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
- External Links
- ChemSpider
- 118516
- Predicted Properties
Property Value Source Water Solubility 0.00583 mg/mL ALOGPS logP 5.07 ALOGPS logP 4.72 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 15.04 Chemaxon pKa (Strongest Basic) 9.32 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 61.88 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 139.37 m3·mol-1 Chemaxon Polarizability 55.16 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon