alcaftadine   

GtoPdb Ligand ID: 7587

Synonyms: Lastacaft® | R-89674
alcaftadine is an approved drug (FDA (2010))
Compound class: Synthetic organic
Comment: Alcaftadine is an antihistamine drug.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 38.13
Molecular weight 307.17
XLogP 2.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=Cc1cnc2n1CCc1c(C2=C2CCN(CC2)C)cccc1
Isomeric SMILES O=Cc1cnc2n1CCc1c(C2=C2CCN(CC2)C)cccc1
InChI InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3
InChI Key MWTBKTRZPHJQLH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2010))
IUPAC Name
11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,3-b][3]benzazepine-3-carbaldehyde
International Nonproprietary Names
INN number INN
8707 alcaftadine
Synonyms
Lastacaft® | R-89674
Database Links
CAS Registry No. 147084-10-4
ChEMBL Ligand CHEMBL1201747
DrugBank Ligand DB06766
DrugCentral Ligand 4165
GtoPdb PubChem SID 223365922
PubChem CID 19371515
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Wikipedia Alcaftadine