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Basic information
- CAS
2315-02-8- Standard SMILES
Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl- InChIKey
BEEDODBODQVSIM-UHFFFAOYSA-N- Molecular formula
- C16H24N2O.ClH
- Average molar mass
- 296.83 g/mol
- Monoisotopic mass
- 296.1655411
Overview
Oxymetazoline hydrochloride is a hydrochloride salt resulting from the reaction of equimolar quantities of oxymetazoline and hydrogen chloride. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used to relieve nasal congestion. It has a role as a sympathomimetic agent, an alpha-adrenergic agonist, a vasoconstrictor agent and a nasal decongestant. It contains an oxymetazoline(1+).
Names & identifiers
- Preferred name
- Oxymetazoline Hydrochloride
- IUPAC
- 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol;hydrochloride
Names & synonyms
Oxymetazoline hydrochloride2315-02-8Oxymetazoline HClOcuclearAfrazineNostrillaRhofadeSch 9384Visine L.R.Vicks SinexAnefrin nasalK89MJ0S5VY
Show more names
NSC-757254UPNEEQAgn-199201SCH-9384CHEBI:7863DTXSID801777292-(4-t-Butyl-2,6-dimethyl-3-hydroxybenzyl)-2-imidazolinium chloride2,6-Dimethyl-2-(4-tertiarybutyl-3-hydroxyphenyl)methylimidazoline hydrochloride
Database identifiers
- CAS
2315-02-8- PubChem CID
- 66259
- DTXSID
DTXSID80177729- ChEMBL
CHEMBL1200791- ChEBI
CHEBI:7863- UNII
- K89MJ0S5VY
- EC Number
- 219-015-0
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section169.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Safety & regulation
GHS classification
GHS Classification
Danger
H300 (75%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 148 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-, monohydrochloride
Oxymetazoline hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-, monohydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 1 (75%)
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
ALLERGY SINUS
Increased Sympathetic Activity [PE]; Vasoconstriction [PE]; Imidazolines [CS]; Vasoconstrictor [EPC]
NASAL OXYMETAZOLINE HCL
Increased Sympathetic Activity [PE]; Vasoconstriction [PE]; Imidazolines [CS]; Vasoconstrictor [EPC]
OXYMETAZOLINE HCL
Increased Sympathetic Activity [PE]; Imidazolines [CS]; Vasoconstriction [PE]; Vasoconstrictor [EPC]
MeSH Pharmacological Classification
Drugs that selectively bind to and activate alpha adrenergic receptors.
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Drugs designed to treat inflammation of the nasal passages, generally the result of an infection (more often than not the common cold) or an allergy related condition, e.g., hay fever. The inflammation involves swelling of the mucous membrane that lines the nasal passages and results in inordinate mucus production. The primary class of nasal decongestants are vasoconstrictor agents. (From PharmAssist, The Family Guide to Health and Medicine, 1993)
Related reactions
1 records
Compound notes
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