Compound: oxymetazoline
SMILES: Oc1c(cc(C)c(c1C)CC2=NCCN2)C(C)(C)C
InChIKey: WYWIFABBXFUGLM-UHFFFAOYSA-N
Synonyms: oxymetazoline, 1491-59-4, Oxymethazoline, Hazol, Oximetazolinum, Oxylazine, Rhinofrenol, Sinerol, Iliadin, Navisin, Nezeril, Nafrine, Oxymetozoline, Oximetazolina, Oxymetazolinum, Afrin, 6-tert-Butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol, Nasacon, Operil, Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-, 6-t-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol, 2-(4-tert-Butyl-2,6-dimethyl-3-hydroxybenzyl)-2-imidazoline, 6-tert-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol, H 990, 8VLN5B44ZY, 3-[(4,5-Dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethylphenol, DTXSID3040691, Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-, Phenol, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-6-(1,1-dimethylethyl)-2,4-dimethyl-, CHEBI:7862, DTXCID1020691, Phenol, 6-t-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-6-(1,1-dimethylethyl)-2,4-dimethylphenol, RefChem:6090, A14AA05, R01AA05, R01AB07, S01GA04, Sinufrin Quick Relief Decongestant, 216-079-1, Rhinolitan, HSDB 3143, Oxymetazoline (INN), Navasin, NCGC00015766-08, 6-tert-Butyl-3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-2,4-dimethylphenol, OXYMETAZOLINE [INN], Oxymetazoline [INN:BAN], Oxymetazolinum [INN-Latin], Oximetazolina [INN-Spanish], CAS-1491-59-4, Operil (TN), EINECS 216-079-1, oxymetazoline hydrochloride crystalline, UNII-8VLN5B44ZY, BRN 0886303, oxymetazolina, 6-(tert-butyl)-3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-2,4-dimethylphenol, 6-(tert-Butyl)-3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-2,4-dimethylphenol, MFCD00242798, Nasivine (Salt/Mix), Spectrum_001051, Tocris-1142, 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-phenol;hydrochloride, Prestwick0_000224, Prestwick1_000224, Prestwick2_000224, Prestwick3_000224, Spectrum2_000998, Spectrum3_000533, Spectrum4_000464, Spectrum5_001114, Lopac-O-2378, OXYMETAZOLINE [MI], Biomol-NT_000161, CHEMBL762, OXYMETAZOLINE [HSDB], Lopac0_000903, SCHEMBL24301, BSPBio_000267, BSPBio_002145, GTPL124, KBioGR_000908, KBioSS_001531, OXYMETAZOLINE [VANDF], cid_66259, DivK1c_000567, SPBio_001095, SPBio_002188, OXYMETAZOLINE [WHO-DD], BPBio1_000295, BPBio1_000419, orb1685732, SCHEMBL29825106, BDBM30712, KBio1_000567, KBio2_001531, KBio2_004099, KBio2_006667, KBio3_001645, NINDS_000567, HMS2089G03, ALBB-036521, Tox21_110217, EBC-26354, STK075254, 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-6-tert-butyl-phenol, AKOS007930348, Tox21_110217_1, AC-6370, CAS-151615, CCG-204985, DB00935, SDCCGSBI-0050878.P005, IDI1_000567, NCGC00015766-01, NCGC00015766-02, NCGC00015766-03, NCGC00015766-04, NCGC00015766-05, NCGC00015766-06, NCGC00015766-07, NCGC00015766-09, NCGC00015766-10, NCGC00015766-11, NCGC00015766-13, NCGC00015766-16, NCGC00015766-21, NCGC00022345-02, NCGC00022345-04, NCGC00022345-05, NCGC00022345-06, HY-12722, SY278685, SBI-0050878.P004, CS-0012298, H-990, NS00005342, C07363, D08322, G78135, AB00053513-12, AB00053513-13, AB00053513_14, AB00053513_15, EN300-23521946, L000459, Q417813, BRD-K16195444-001-01-7, BRD-K16195444-003-16-1, BRD-K16195444-003-24-5, BRD-K16195444-003-25-2, BRD-K16195444-003-26-0, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-phenol;hydrochloride, 6-tert-Butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol #, Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl- (7CI,8CI), Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl- (9CI)
Theoretical properties:
molecular_formula: C16H24N2O
molecular_weight: 260.37 g/mol
exact_mass: 260.188863393 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 19
topological_polar_surface_area: 44.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals from benzene
color: Crystals from benzene
solubility: ODORLESS; WHITE TO NEARLY WHITE, FINE, CRYSTALLINE POWDER; SOL IN  ALC
Descriptions:
{"pubchem": "Oxymetazoline is a member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion. It has a role as a sympathomimetic agent, an alpha-adrenergic agonist, a vasoconstrictor agent and a nasal decongestant. It is a member of phenols, a carboxamidine and a member of imidazolines. It is a conjugate base of an oxymetazoline(1+).", "chebi": "A member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1<em>H</em>-imidazol-2-ylmethyl and <em>tert</em>-butyl groups, respectively. A direct-acting sympathomimetic with marked \u03b1-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion.", "chembl": "OXYMETAZOLINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Oxymetazoline, sold under the brand name Afrin among others, is a topical decongestant and vasoconstrictor medication. It is available over-the-counter as a nasal spray to treat nasal congestion and nosebleeds, as eye drops to treat eye redness due to minor irritation, and (in the United States) as a prescription topical cream to treat persistent facial redness due to rosacea in adults. Its effects begin within minutes and last for up to six hours. Intranasal use for longer than three to five days may cause congestion to recur or worsen, resulting in physical dependence. Fluticasone propionate (Flonase) and other intranasal glucocorticoids are known to treat oxymetazoline dependence.\nOxymetazoline is a derivative of imidazole. It was developed from xylometazoline at Merck by Wolfgang Fruhstorfer and Helmut M\u00fcller-Calgan in 1961. A direct sympathomimetic, oxymetazoline binds to and activates \u03b11 adrenergic receptors and \u03b12 adrenergic receptors, most notably.\nIn 2022, it was the 305th most commonly prescribed medication in the United States, with more than 300,000 prescriptions."}