기본 정보
- CAS
127254-10-8- 표준 SMILES
N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2- InChIKey
PNUZDKCDAWUEGK-UHTWSYAYSA-N- 분자식
- C19H18ClF2N3O3
- 평균 분자량
- 409.8 g/mol
- 단동위원소 질량
- 409.1004755
이름 및 식별자
- 우선 이름
- 7-((R)-7-amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 7-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
- 영어명
- 7-[(4S)-4-Amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
- 분자식
- C19H18ClF2N3O3
- 분자량
- 409.81
이름 및 동의어
127254-10-87-((R)-7-amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidSitafloxacinisomer cento(RRS)Sitafloxacin RRS-Isomer7-[(7R)-7-Amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acidSitafloxacin isomer III (RRS)DU-6857Sitafloxacin Rrs IsomerCHEMBL607110orb3028862VY3M2Q34P6DU6857
이름 더 보기
DU 6857Sitafloxacin·1.5H2O(1R,2S,7R)-SitafloxacinSitafloxacinisomerⅢ(RRS)Sitafloxacin Impurity HClsitafloxacin isomer III(RRS)Sitafloxacin Impurity 14 HCl(1R,2S,7R)-Sitafloxacin-d4 HClSitafloxacin Isomer Impurity 7
Sitafloxacin Isomer Impurity 9(RRS)T2062625-Azaspiro[2.4]heptane, 3-quinolinecarboxylic acid deriv.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-, [1R-[1alpha(R*),2alpha]]-3-Quinolinecarboxylic acid, 7-[(7R)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-7-[(7R)-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
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 86.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 761
물리화학적 성질
- 끓는 점
- 629.2 · 629.2±55.0 °C(Predicted)
- 밀도
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.39 · 6.39±0.50(Predicted)
화학 및 산업
응용 분야
용도DU 6857, is an isomer of Sitafloxacin (S490920), which is an antibacterial.
공급사38 곳
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
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深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
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