Vapitadine dihydrochlorideProduct ingredient for Vapitadine
- Name
- Vapitadine dihydrochloride
- Drug Entry
- Vapitadine
Vapitadine is an antihistamine that Barrier Therapeutics is developing as a treatment for allergic reactions of the skin, such as those associated with hives and for the itch associated with atopic dermatitis. An advantage of vapitadine over other antihistamines may be the absence of the sedation, even at high doses.
- Accession Number
- DBSALT002545
- Structure
Structure for Vapitadine dihydrochloride (DBSALT002545)
- Synonyms
- Vapitadine dihydrochloride
- External IDs
- R-129160 / R129160
- UNII
- R612XR8A9F
- CAS Number
- 279253-83-7
- Weight
- Average: 369.289
Monoisotopic: 368.11706676 - Chemical Formula
- C17H22Cl2N4O
- InChI Key
- BOYLPLUVCXUHDJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H20N4O.2ClH/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16;;/h1-4,11,19H,5-10H2,(H2,18,22);2*1H
- IUPAC Name
- 4',7'-diazaspiro[piperidine-4,2'-tricyclo[8.4.0.0^{3,7}]tetradecane]-1'(10'),3',5',11',13'-pentaene-6'-carboxamide dihydrochloride
- SMILES
- Cl.Cl.NC(=O)C1=CN=C2N1CCC1=C(C=CC=C1)C21CCNCC1
- External Links
- ChemSpider
- 8017966
- ChEMBL
- CHEMBL539843
- Predicted Properties
Property Value Source Water Solubility 0.178 mg/mL ALOGPS logP 1 ALOGPS logP 0.81 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 13.89 Chemaxon pKa (Strongest Basic) 9.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 72.94 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 96.14 m3·mol-1 Chemaxon Polarizability 32.28 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon