Rupatadine fumarateProduct ingredient for Rupatadine

Name
Rupatadine fumarate
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
DBSALT001922
Structure
Synonyms
Not Available
UNII
XJ6OT32M93
CAS Number
182349-12-8
Weight
Average: 532.04
Monoisotopic: 531.1924842
Chemical Formula
C30H30ClN3O4
InChI Key
JYBLCDXVHQWMSU-WLHGVMLRSA-N
InChI
InChI=1S/C26H26ClN3.C4H4O4/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;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
IUPAC Name
(2E)-but-2-enedioic acid; 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
SMILES
[H]\C(=C(\[H])C(O)=O)C(O)=O.CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1
ChemSpider
4952059
Predicted Properties
PropertyValueSource
Water Solubility0.00544 mg/mLALOGPS
logP4.82ALOGPS
logP5.37Chemaxon
logS-4.9ALOGPS
pKa (Strongest Basic)7.19Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area29.02 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity133.83 m3·mol-1Chemaxon
Polarizability46.98 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon