7-[(4aR,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
기본 정보
- CAS
855661-71-1- 표준 SMILES
COc1c(N2C[C@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12- InChIKey
FABPRXSRWADJSP-BDJLRTHQSA-N- 분자식
- C21H24FN3O4
- 평균 분자량
- 401.4 g/mol
- 단동위원소 질량
- 401.17508442
이름 및 식별자
- 우선 이름
- 7-[(4aR,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 7-[(4aR,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
- 영어명
- 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aR,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic Acid
- 분자식
- C21H24FN3O4
- 분자량
- 401.43
이름 및 동의어
855661-71-11-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aR,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid1-Cyclopropyl-6-fluoro-7-((4aR,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-[(4aR,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid(1S,6R)-trans-MoxifloxacinMoxifloxacin Impurity 8CVE75RJH5TMoxifloxacin (4aR,7aS)-IsomerMoxifloxacin Impurity 41(R,S)SCHEMBL154728791-cyclopropyl-6-fluoro-8-methoxy-7-((4aR,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidDB-312092
이름 더 보기
Moxifloxacin HCl (4aR,7aS)-IsomerMoxifloxacin Impurity S((1S,6R)-trans-Moxifloxacin)1-cyclopropyl-6-fluoro-7-((4aR,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid? (Moxifloxacin Impurity）
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 82.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 727
화학 및 산업
응용 분야
용도(1S,6R)-trans-Moxifloxacin Is an impurity of Moxifloxacin (M745000) which is a fluorinated quinolone antibacterial.
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