기본 정보
- CAS
119365-22-9- 표준 SMILES
O[C@H](CNC[C@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1- InChIKey
KOHIRBRYDXPAMZ-GMQQQROESA-N- 분자식
- C22H25F2NO4
- 평균 분자량
- 405.4 g/mol
- 단동위원소 질량
- 405.1751646
이름 및 식별자
- 우선 이름
- Nebivolol EP Impurity D
- IUPAC
- (1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
- 영어명
- (1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
- 분자식
- C22H25F2NO4
- 분자량
- 405.44
이름 및 동의어
(R,S,R,R)-Nebivolol119365-26-3Nebivolol EP Impurity DRRSR-Nebivolol8HXN4PCC7XRRSR and SSRS Nebivolol4RQ598DB2XSCHEMBL12375910Nebivolol Impurity 11 (Rrsr-Nebivolol)119365-22-9R-65825R-67142
이름 더 보기
Nebivolol Impurity 12 (Nebivolol EP Impurity D)(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
(alphaR,alpha'S,2R,2'R)-alpha,alpha'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol](alphaR,alpha'S,2R,2'R)-alpha,alpha'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol], rel-(R,S,R,R)-Nebivolol; 2H-1-Benzopyran-2-methanol, a,a'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, (aR,a'S,2R,2'R)-; 2H-1-Benzopyran-2-methanol, a,a'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, [2R-[2R*[R*[S*(R*)]]]]-; (aR,a'S,2R,2'R)-a,a'-[Iminobis(methylene)]bis[6-fl(S)-1-((R)-6-fluorochroman-2-yl)-2-(((R)-2-((R)-6-fluorochroman-2-yl)-2-hydroxyethyl)amino)ethanol2H-1-Benzopyran-2-methanol, alpha,alpha'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, (alphaR,alpha'S,2R,2'R)-2H-1-Benzopyran-2-methanol, alpha,alpha'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, (alphaR,alpha'S,2R,2'R)-rel-rel-(alphaR,alpha'S,2R,2'R)-alpha,alpha'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 71 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 483
물리화학적 성질
- 끓는 점
- 600.455 · 600.455±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.31 · 1.310±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 14.289 · 14.289±0.20(predicted)
화학 및 산업
공급사3 곳
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
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