Tripelennamine citrateProduct ingredient for Tripelennamine

Name
Tripelennamine citrate
Drug Entry
Tripelennamine

A histamine H1 antagonist with low sedative action but frequent gastrointestinal irritation. It is used to treat asthma; HAY fever; urticaria; and rhinitis; and also in veterinary applications. Tripelennamine is administered by various routes, including topically.

Accession Number
DBSALT001316
Structure
Synonyms
Not Available
UNII
30OC46A3J9
CAS Number
6138-56-3
Weight
Average: 447.488
Monoisotopic: 447.200550286
Chemical Formula
C22H29N3O7
InChI Key
GGRBYIUPUOYRLQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H21N3.C6H8O7/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid; N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1
ChemSpider
170671
ChEMBL
CHEMBL1200769
Wikipedia
Tripelennamine
Predicted Properties
PropertyValueSource
Water Solubility2.84 mg/mLALOGPS
logP3.05ALOGPS
logP3.2Chemaxon
logS-2ALOGPS
pKa (Strongest Basic)8.76Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area19.37 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity81.27 m3·mol-1Chemaxon
Polarizability30.11 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon