carteolol   Click here for help

GtoPdb Ligand ID: 7142

Synonyms: ABBOTT-43326 | Cartrol® | Ocupress® | OPC-1085
Approved drug
carteolol is an approved drug (FDA (1988))
Compound class: Synthetic organic
Comment: Carteolol is a β-blocker, selective for β1-adrenoceptors in cardiac tissue.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 74.08
Molecular weight 292.18
XLogP 1.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(COc1cccc2c1CCC(=N2)O)CNC(C)(C)C
Isomeric SMILES OC(COc1cccc2c1CCC(=N2)O)CNC(C)(C)C
InChI InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
InChI Key LWAFSWPYPHEXKX-UHFFFAOYSA-N