Dimetindene maleateProduct ingredient for Dimetindene

Name
Dimetindene maleate
Drug Entry
Dimetindene

Dimetindene (Fenistil) is an antihistamine/anticholinergic used orally and locally as an antipruritic.

Accession Number
DBSALT000908
Structure
Synonyms
Not Available
UNII
6LL60J9E0O
CAS Number
3614-69-5
Weight
Average: 408.498
Monoisotopic: 408.20490739
Chemical Formula
C24H28N2O4
InChI Key
SWECWXGUJQLXJF-BTJKTKAUSA-N
InChI
InChI=1S/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
IUPAC Name
(2Z)-but-2-enedioic acid; dimethyl(2-{3-[1-(pyridin-2-yl)ethyl]-1H-inden-2-yl}ethyl)amine
SMILES
OC(=O)\C=C/C(O)=O.CC(C1=C(CCN(C)C)CC2=C1C=CC=C2)C1=CC=CC=N1
PubChem Compound
5282414
ChemSpider
4445569
ChEBI
31500
ChEMBL
CHEMBL1870768
Predicted Properties
PropertyValueSource
Water Solubility0.0384 mg/mLALOGPS
logP4.03ALOGPS
logP3.74Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)18.93Chemaxon
pKa (Strongest Basic)9.7Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area16.13 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity93.57 m3·mol-1Chemaxon
Polarizability35.08 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon