基本情報
- 標準SMILES
Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl- InChIKey
BEEDODBODQVSIM-UHFFFAOYSA-N- 分子式
- C16H24N2O.ClH
- 平均分子量
- 296.83 g/mol
- 単同位体質量
- 296.1655411
概要
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+).
名称と識別子
- 優先名称
- Oxymetazoline Hydrochloride
- IUPAC
- 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol;hydrochloride
名称と別名
Oxymetazoline hydrochloride2315-02-8Oxymetazoline HClOcuclearAfrazineNostrillaRhofadeSch 9384Visine L.R.Vicks SinexAnefrin nasalK89MJ0S5VY
名称をさらに表示
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
データベース識別子
- CAS
2315-02-8- PubChem CID
- 66259
- DTXSID
DTXSID80177729- ChEMBL
CHEMBL1200791- ChEBI
CHEBI:7863- UNII
- K89MJ0S5VY
- EC Number
- 219-015-0
物性
構造計算による物性
- 極性表面積
- 44.6 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 345
実験および物理化学的性質
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]
安全と法規制
GHS分類
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.
危険有害性情報
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%)
化学と産業
薬理情報
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)
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