asenapine   Click here for help

GtoPdb Ligand ID: 22

Synonyms: ORG-5222 | ORG5222 | Saphris® | Secuado® (transdermal asenapine) | Sycrest®
Approved drug
asenapine is an approved drug (FDA (2009), EMA (2010))
Compound class: Synthetic organic
Comment: Asenapine is an atypical antipsychotic. The drug is an enantiomeric mixture, and we show one enantioner here. Alternative enantiomers include CHEMBL1201756.
Marketed formulations may contain asenapine maleate (PubChem CID 6917875).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 12.47
Molecular weight 285.09
XLogP 3.41
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc2c(c1)C1CN(CC1c1c(O2)cccc1)C
Isomeric SMILES Clc1ccc2c(c1)[C@H]1CN(C[C@@H]1c1c(O2)cccc1)C
InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1
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InChI standard identifier Download
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Molecular structure representations generated using Open Babel