基本情報
- CAS
10061-11-7- 標準SMILES
c1ccc2c(CC3=NCCN3)cccc2c1- InChIKey
CNIIGCLFLJGOGP-UHFFFAOYSA-N- 分子式
- C14H14N2
- 平均分子量
- 210.27 g/mol
- 単同位体質量
- 210.11569846
概要
2-(1-naphthalenylmethyl)-4,5-dihydro-1H-imidazole is a member of naphthalenes.
名称と識別子
- 優先名称
- Naphazoline
- IUPAC
- 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
- 現地名
- ナファゾリン
- 英語名
- Naphazoline
- 分子式
- C14H14N2
- 分子量
- 210.27
名称と別名
naphazoline835-31-42-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazoleNafazolinaClearineNafazolinNaphazolinum2-(1-Naphthylmethyl)-2-imidazolineCiba 2020/Ralpha-Naphthylmethyl imidazoline1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-DTXSID3048449
名称をさらに表示
4,5-ジヒドロ-2-(1-ナフタレニルメチル)-1H-イミダゾール2-(1-ナフチルメチル)-2-イミダゾリンナファゾリン4,5-ジヒドロ-2-(1-ナフチルメチル)-1H-イミダゾール2-(1-ナフチルメチル)-4,5-ジヒドロ-1H-イミダゾール2-(1-ナフチルエチル)-2-イミダンゾリン2-[(ナフタレン-1-イル)メチル]-4,5-ジヒドロ-1H-イミダゾールNAPHAZOLINE HCLNAFAZOLINENaphazoline-d42-(1-NAPHTHYLMETHYL)-2-IMIDAZOLINE HYDROCHLORIDEAntanImidinPrivineSanorinRhinazineciba2020/r
H231GF11BVDTXCID90198485Tele StullnAK ConVasoconstrictor PensaPensa, VasoconstrictorRefChem:56335naphthizinum (for the nitrate)
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 24.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 272
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Physical DescriptionSolid
Collision Cross Section
149.6 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
147.59 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 254 °C · 254 °C
- 沸点
- 339.81 °C · 339.81°C (rough estimate)
- 比重(密度)
- 1.1063 · 1.1063 (rough estimate)
- 屈折率
- 1.618 · 1.6180 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 10.35 · pKa 10.35 ± 0.02(H2O,t =25,Iundefined) (Uncertain)
- 外見
- Solid
- 色
- White to light yellow
- CAS データベース
- 835 · 835-31-4(CAS DataBase Reference)
- NISTの化学物質情報
- Naphazoline(835-31-4)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationREACH registered substance: Naphazoline (EC: 212-641-5)
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- 3
- rtecs
- NJ4375000
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
化学と産業
薬理情報
ATC Code
R01AA08
S - Sensory organs
R - Respiratory system
R - Respiratory system
QR - Respiratory system
QR - Respiratory system
Protein BindingProtein binding data for naphazoline is unavailable.
PharmacodynamicsNaphazoline is a sympathomimetic alpha adrenergic agonist that acts to vasoconstrict nasal or ocular arterioles, resulting in reduced congestion at the site of administration.
Mechanism of Action
Naphazoline is a vasoconstrictor that functions by stimulating alpha adrenergic receptors in arterioles leading to decreased congestion at the site of administration. Naphazoline causes the release of norepinephrine in sympathetic nerves. Norepinephrine binds to alpha adrenergic receptors and causes vasoconstriction. Naphazoline is also a mild beta adrenergic receptor agonist, which can cause rebound vasodilation after the alpha adrenergic stimulation has ended. Naphazoline's release of norepinephrine also triggers a negative feedback loop which decreases production of norepinephrine, which can lead to rhinitis medicamentosa after long term use when naphazoline is stopped.
Biological Half-LifeHalf life has not been determined but effects last for 4 to 8 hours. Other imidazoline compounds have half lives varying from 2 to 12 hours.
Metabolism/MetabolitesMetabolism data for naphazoline are scarce. Imidazoline compounds undergo some hepatic metabolism but a large fraction of the dose may be excreted unchanged in the urine.
MeSH Pharmacological Classification
Drugs that selectively bind to and activate alpha adrenergic receptors.
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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