naphazoline   Click here for help

GtoPdb Ligand ID: 5509

Synonyms: Naphcon®
Approved drug
naphazoline is an approved drug (FDA (1971, prior history not available))
Compound class: Synthetic organic
Comment: Marketed formulations may contain naphazoline hydrochloride (PubChem CID 11079) or naphazoline nitrate (PubChem CID 16218420).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 24.39
Molecular weight 210.12
XLogP 2.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1CN=C(N1)Cc1cccc2c1cccc2
Isomeric SMILES C1CN=C(N1)Cc1cccc2c1cccc2
InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
InChI Key CNIIGCLFLJGOGP-UHFFFAOYSA-N
References
1. Stäubert C, Böselt I, Bohnekamp J, Römpler H, Enard W, Schöneberg T. (2010)
Structural and functional evolution of the trace amine-associated receptors TAAR3, TAAR4 and TAAR5 in primates.
PLoS ONE, 5 (6): e11133. [PMID:20559446]