azatadine   

GtoPdb Ligand ID: 7119

Synonyms: Optimine® | SCH-10649
azatadine is an approved drug (FDA (1977))
Compound class: Synthetic organic
Comment: Azatadine is a first-generation antihistamine and anticholinergic drug. Its marketing has been discontinued in many countries as its use has largely been repleaced by newer and more effective alternatives.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 16.13
Molecular weight 290.18
XLogP 2.81
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCC(=C2c3ccccc3CCc3c2nccc3)CC1
Isomeric SMILES CN1CCC(=C2c3ccccc3CCc3c2nccc3)CC1
InChI InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
InChI Key SEBMTIQKRHYNIT-UHFFFAOYSA-N
Download 2D Structure
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel