oxymetazoline   

GtoPdb Ligand ID: 124

Synonyms: Afrin® | oxymethazoline | SCH-9384 | Upneeq® (opthalmic solution) | Vicks Sinex®
oxymetazoline is an approved drug (FDA (1986))
Compound class: Synthetic organic
Comment: Oxymetazoline is a selective α1-adrenoceptor agonist and α2-adrenoceptor partial agonist with vasoconstricting properties.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 44.62
Molecular weight 260.19
XLogP 3.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C
Isomeric SMILES Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C
InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
InChI Key WYWIFABBXFUGLM-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1986))
IUPAC Name
6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
International Nonproprietary Names
INN number INN
1400 oxymetazoline
Synonyms
Afrin® | oxymethazoline | SCH-9384 | Upneeq® (opthalmic solution) | Vicks Sinex®
Database Links
BindingDB Ligand 50027075
CAS Registry No. 1491-59-4
ChEBI CHEBI:7862
ChEMBL Ligand CHEMBL762
DrugBank Ligand DB00935
DrugCentral Ligand 2032
GtoPdb PubChem SID 135650785
PubChem CID 4636
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Wikipedia Oxymetazoline