Rupatadine trihydrochlorideProduct ingredient for Rupatadine
- Name
- Rupatadine trihydrochloride
- Drug Entry
- Rupatadine
Rupatadine is a dual histamine H1 receptor and platelet activating factor receptor antagonist that is used for symptomatic relief in seasonal and perennial rhinitis as well as chronic spontaneous urticaria. It was approved for marketing in Canada under the tradename Rupall and comes in tablet formulation for adult use and liquid formulation for pediatric use.
- Accession Number
- DBSALT001923
- Structure
Structure for Rupatadine trihydrochloride (DBSALT001923)
- Synonyms
- Not Available
- UNII
- G61C8NZY2T
- CAS Number
- 156611-76-6
- Weight
- Average: 525.34
Monoisotopic: 523.1115587 - Chemical Formula
- C26H29Cl4N3
- InChI Key
- BQFOTHHRVVHLEW-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H26ClN3.3ClH/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;;;/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;3*1H
- IUPAC Name
- 13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene trihydrochloride
- SMILES
- Cl.Cl.Cl.CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1
- External Links
- ChemSpider
- 117387
- Predicted Properties
Property Value Source Water Solubility 0.00544 mg/mL ALOGPS logP 4.82 ALOGPS logP 5.37 Chemaxon logS -4.9 ALOGPS pKa (Strongest Basic) 7.19 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.02 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 133.83 m3·mol-1 Chemaxon Polarizability 46.98 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon