Mrv0541 03171411082D          

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M  END
> <ID>
CHEBI:7862

> <NAME>
oxymetazoline

> <DEFINITION>
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 α-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion.

> <STAR>
3

> <SYNONYM>
6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol; 6-t-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol; 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethylphenol; 2-(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-2-imidazoline

> <IUPAC_NAME>
6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol

> <INN>
oxymetazolinum; oxymetazoline; oxymetazoline; oxymetazolina

> <FORMULA>
C16H24N2O

> <MASS>
260.37460

> <MONOISOTOPIC_MASS>
260.18886

> <CHARGE>
0

> <SMILES>
Cc1cc(c(O)c(C)c1CC1=NCCN1)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)

> <INCHIKEY>
WYWIFABBXFUGLM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1491-59-4

> <REAXYS_REGISTRY_NUMBER>
886303

> <DRUGBANK_ACCESSION>
DB00935

> <KEGG_COMPOUND_ACCESSION>
C07363

> <KEGG_DRUG_ACCESSION>
D08322

> <LINCS_ACCESSION>
LSM-2353

> <NIST_CHEMISTRY_WEBBOOK>
1491-59-4

> <WIKIPEDIA_ACCESSION>
Oxymetazoline

> <PUBMED_CITATION>
10487000; 21177487; 23679077; 23988443; 4003266

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