피롤리디늄,3-[(시클로펜틸히드록시페닐아세틸)옥시]-1,1-디메틸-,브로마이드,[S-(R*,S*)]-
erythro-Glycopyrronium bromide
기본 정보
- CAS
129784-12-9- 표준 SMILES
C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1.[Br-]- InChIKey
VPNYRYCIDCJBOM-QQTWVUFVSA-M- 분자식
- C19H28BrNO3
- 평균 분자량
- 398.3 g/mol
- 단동위원소 질량
- 397.12526
개요
(2R,3S)-glycopyrronium bromide is a glycopyrronium bromide that has (2R,3S)-configuration. The racemate, ritropirronium bromide, is used for treatment of chronic obstructive pulmonary disease. It is an enantiomer of a (2S,3R)-glycopyrronium bromide.
이름 및 식별자
- 우선 이름
- erythro-Glycopyrronium bromide
- IUPAC
- [(3S)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
- 현지명
- 피롤리디늄,3-[(시클로펜틸히드록시페닐아세틸)옥시]-1,1-디메틸-,브로마이드,[S-(R*,S*)]-
- 영어명
- Pyrrolidinium, 3-[(cyclopentylhydroxyphenylacetyl)oxy]-1,1-dimethyl-, bromide, [S-(R*,S*)]-
- 분자식
- C19H28NO3.Br
- 분자량
- 398.33
이름 및 동의어
erythro-Glycopyrronium bromideDTXSID40199205RefChem:591115DTXCID3082061751186-83-5129784-12-9(2R,3'S)-Glycopyrrolate Bromide68EL47CXSPGlycopyrrolate, (2R,3'S)-(2R,3S)-glycopyrronium bromideGlycopyrrolate, (S-(R*,S*))-Glycopyrronium bromide, (2R,3'S)-
이름 더 보기
피롤리디늄,3-[(시클로펜틸히드록시페닐아세틸)옥시]-1,1-디메틸-,브로마이드,[S-(R*,S*)]-Glycopyrrolate Impurity 38(2R,3’S)-Glycopyrrolate BromideGlycopyrrolateImpurity20BromideGlycopyrrolate Bromide Impurity 21(S)-3-((R)-2-Cyclopentyl-2-hydroxy-2-phenylacetoxy)-1,1-dimethylpyrrolidin-1-ium bromidePyrrolidinium, 3-[[(2R)-cyclopentylhydroxyphenylacetyl]oxy]-1,1-dimethyl-, bromide, (3S)-Pyrrolidinium, 3-[(cyclopentylhydroxyphenylacetyl)oxy]-1,1-dimethyl-, bromide, [S-(R*,S*)]-
[(3S)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate;bromidePyrrolidinium, 3-(((2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy)-1,1-dimethyl-, bromide (1:1), (3S)-rel-(S)-rel-3-((R)-2-Cyclopentyl-2-hydroxy-2-phenylacetoxy)-1,1-dimethylpyrrolidin-1-ium bromidePyrrolidinium, 3-(((2R)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3S)-Pyrrolidinium, 3-((cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (S-(R*,S*))-(3S)-3-(((2R)-2-Cyclopentyl-2-hydroxy-2-phenylacetyl)oxy)-1,1-dimethylpyrrolidinium bromide (1:1)(3S)-3-{[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium bromidePyrrolidinium, 3-(((2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy)-1,1-dimethyl-, bromide (1:1), (3S)-
물성
구조 계산 물성
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 424
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