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Rorifone

HCID 3033049
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基本情報概要名称と識別子物性化学と産業関連反応化合物ノート
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基本情報

CAS
53078-90-3
標準SMILES
CS(=O)(=O)CCCCCCCCCC#N
InChIKey
OKNKACRVIGPQAW-UHFFFAOYSA-N
分子式
C11H21NO2S
平均分子量
231.36 g/mol
単同位体質量
231.12930009

概要

crystalline substance isolated from herb Han-Tsai Rorippa montana (Cruciferae); used in chronic bronchitis; RN is from 9th CI; cpd not in Chemline 8/9/83; structure

名称と識別子

優先名称
Rorifone
IUPAC
10-methylsulfonyldecanenitrile
英語名
Rorifone
分子式
C11H21NO2S
分子量
231.35

名称と別名

Rorifone53078-90-3DTXSID80201159RefChem:179840DTXCID3012365010-methylsulfonyldecanenitrileRorifine10-(Methylsulfonyl)decanenitrileDecanenitrile, 10-(methylsulfonyl)-10-methylsulfonyl decanenitrileorb169541610-(Methanesulfonyl)decanenitrile
名称をさらに表示
RORIFONE USP/EP/BP
OKNKACRVIGPQAW-UHFFFAOYSA-NAKOS040753811FR65697T34389

データベース識別子

CAS
53078-90-3
PubChem CID
3033049
DTXSID
DTXSID80201159

物性

構造計算による物性補完中

XLogP
2.5
極性表面積
66.3 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
9
重原子数
15
形式電荷
0
複雑度
281

化学的性質

化学的特性white or whitish crystalline powder. practically insoluble in water; slightly soluble in ether; freely soluble in ethyl acetate or chloroform; soluble in methanol and ethanol.

化学と産業

応用分野 · 2 件

来歴In the early 1970s of the last century in China, about 300 kinds of effective Chinese herbal medicines were explored for the treatment of chronic bronchitis, which was carried out as a national program. Rorifonum was obtained and developed under Rorifonumthis historical condition. Two crystals named rorifonum and rorifamide were obtained after studies on the chemical components of Rorippa Montana (Wall.) Small (hancai) by Shanghai Institute of Materia Medica. Using elemental analysis, spectral identification, and mass spectrometry, the chemical structure of these two compounds was finally determined. Rorifonum and rorifamide are the first discovered sulfone compounds with the effects of relieving cough and eliminating phlegm. After a series of pharmacological studies, rorifonum had been proved effective in the expectorant and antibacterial experiments. Clinical trials also revealed that rorifonum has a certain effect of relieving cough and asthma. Synthetic compound of rorifonum and natural product have the same effects. However, the pharmacological effect of rorifamide was not obvious. Meanwhile, in order to find a new drug with higher efficacy and lower toxicity, the researchers synthesized a series of similar compounds, some of them showing significant expectorant activity in the animal models.

一般的な説明Rorifonum is an antichronic bronchitis sulfone derived from Rorippa(Rorippa Montana (Wall.) Small) which is distributed widely in China. The plant has been used as a folk medicine to relieve cough and asthma and also as a mucolytic agent. The results of clinical trials in Shanghai showed that the water decoction of Rorippa Montana (Wall.) Small (hancai) had a certain effect in some kind of chronic bronchitis.

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