基本情報
- CAS
129784-11-8- 標準SMILES
C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1.[Br-]- InChIKey
VPNYRYCIDCJBOM-SCHKGOGONA-M- 分子式
- C19H28BrNO3
- 平均分子量
- 398.3 g/mol
- 単同位体質量
- 397.12526
概要
(2S,3R)-glycopyrronium bromide is a glycopyrronium bromide that has (2S,3R)-configuration. The racemate, ritropirronium bromide, is used for treatment of chronic obstructive pulmonary disease. It is an enantiomer of a (2R,3S)-glycopyrronium bromide.
名称と識別子
- 優先名称
- Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3R)-
- IUPAC
- [(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
- 英語名
- Pyrrolidinium, 3-[(cyclopentylhydroxyphenylacetyl)oxy]-1,1-dimethyl-, bromide, [R-(R*,S*)]-
- 分子式
- C19H28NO3.Br
- 分子量
- 398.33
名称と別名
129784-11-8VGB6MN0Z00Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3R)-Glycopyrrolate, (2S,3'R)-Glycopyrrolate, (R-(R*,S*))-Glycopyrronium bromide, (2S,3'R)-[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide(2S, 3R)-Glycopyrrolate BromidePyrrolidinium, 3-((cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (R-(R*,S*))-(3R)-3-(((2S)-2-Cyclopentyl-2-hydroxy-2-phenylacetyl)oxy)-1,1-dimethylpyrrolidinium bromide (1:1)Pyrrolidinium, 3-(((2S)-2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy)-1,1-dimethyl-, bromide (1:1), (3R)-(R)-3-((S)-2-Cyclopentyl-2-hydroxy-2-phenylacetoxy)-1,1-dimethylpyrrolidin-1-ium bromide
名称をさらに表示
GlycopyrrolateImpurity24BromideGlycopyrrolate Bromide iMpurit NGlycopyrrolate Bromide Impurity 22Glycopyrrolate Bromide Impurity 35Glucosamine Hydrochloride Impurity 16Pyrrolidinium, 3-[[(2S)-cyclopentylhydroxyphenylacetyl]oxy]-1,1-dimethyl-, bromide, (3R)-
物性
構造計算による物性
- 極性表面積
- 46.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 424
物理化学的性質
- InChI
- InChI=1/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1/t17-,19-;/s3
- InChIKey
- VPNYRYCIDCJBOM-SCHKGOGONA-M
- SMILES
- [N+]1(C)(C)CC[C@H](OC([C@](C2CCCC2)(O)C2=CC=CC=C2)=O)C1.[Br-] |&1:5,8,r|
化学と産業
応用分野
使用Pyrrolidinium, 3-[[(2S)-cyclopentylhydroxyphenylacetyl]oxy]-1,1-dimethyl Bromide (1:1) is used a form of peptic ulcer treatments in the form of orally disintegrating tablets. It has also been used in oil-water emulsions for cosmetic uses and diseases that cause excessive sweating in the form of topical creams
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