Sitafloxacin monohydrate
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기본 정보
- CAS
163253-36-9- 표준 SMILES
N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2.O- InChIKey
ANCJYRJLOUSQBW-JJZGMWGRSA-N- 분자식
- C19H20ClF2N3O4
- 평균 분자량
- 427.8 g/mol
개요
See also: Sitafloxacin (annotation moved to).
이름 및 식별자
- 우선 이름
- Sitafloxacin monohydrate
- IUPAC
- 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid;hydrate
- 영어명
- 3-Quinolinecarboxylic acid, 7-[(7S)-7-aMino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-, hydrate (2:1)
- 분자식
- C19H20ClF2N3O4
- 분자량
- 427.83
이름 및 동의어
Sitafloxacin monohydrate163253-37-0UNII-45IP57B62B45IP57B62B3-Quinolinecarboxylic acid, 7-((7S)-7-amino-5-azaspiro(2.4)hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, hydrate (1:1)3-Quinolinecarboxylic acid, 7-(7-amino-5-azaspiro(2.4)hept-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, monohydrate, (1R-(1alpha(S*),2alpha))-3-QUINOLINECARBOXYLIC ACID, 7-(7-AMINO-5-AZASPIRO(2.4)HEPT-5-YL)-8-CHLORO-6-FLUORO-1-(2-FLUOROCYCLOPROPYL)-1,4-DIHYDRO-4-OXO-, MONOHYDRATE, (1R-(1.ALPHA.(S*),2.ALPHA.))-RefChem:202995Sitafloxacin (monohydrate)7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid;hydrateSpifloxacin hydrateorb134391
이름 더 보기
7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluoro-cyclopropyl]-1,4-dihydro-4-oxo-quinolin-3-carboxylic acid semihydrate7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-3-Quinolinecarboxylic acid hydrate (2:1)3-Quinolinecarboxylic acid, 7-[(7S)-7-aMino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-, hydrate (2:1)
C19H20ClF2N3O4orb1982137SCHEMBL1060786CHEMBL3989504SCHEMBL29391142HY-B0395BGLXC-22952MFCD30536681
데이터베이스 식별자
- CAS
163253-36-9- UNII
- 45IP57B62B
물성
구조 계산 물성보충 중
- 극성 표면적
- 87.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 761
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