기본 정보
- CAS
1093185-35-3- 표준 SMILES
Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(NCC(O)COC4CN(c5c(F)cc6c(=O)c(C(=O)O)cn(-c7nc(N)c(F)cc7F)c6c5Cl)C4)c(Cl)c32)c(F)cc1F- InChIKey
COUGBHJOXUJZMT-UHFFFAOYSA-N- 분자식
- C36H24Cl2F6N8O8
- 평균 분자량
- 881.5 g/mol
- 단동위원소 질량
- 880.0998341
이름 및 식별자
- 우선 이름
- 1-(6-Amino-3,5-difluoropyridin-2-yl)-7-(3-(3-((1-(6-amino-3,5-difluoropyridin-2-yl)-3-carboxy-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)amino)-2-hydroxypropoxy)azetidin-1-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[[3-[1-[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-carboxy-8-chloro-6-fluoro-4-oxoquinolin-7-yl]azetidin-3-yl]oxy-2-hydroxypropyl]amino]-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid
- 영어명
- 3-quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[3-[3-[[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-carboxy-8-chloro-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl]amino]-2-hydroxypropoxy]-1-azetidinyl]-8-
- 분자식
- C36H24Cl2F6N8O8
- 분자량
- 881.52
이름 및 동의어
1093185-35-31-(6-Amino-3,5-difluoropyridin-2-yl)-7-(3-(3-((1-(6-amino-3,5-difluoropyridin-2-yl)-3-carboxy-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)amino)-2-hydroxypropoxy)azetidin-1-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[3-[3-[[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-carboxy-8-chloro-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl]amino]-2-hydroxypropoxy]-1-azetidinyl]-8-chloro-6-fluoro-1,4-dihydro-4-oxo-1-(6-Amino-3,5-difluoropyridin-2-yl)-7-(3-(3-((1-(6-amino-3,5-difluoropyridin-2-yl)-3-carboxy-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)amino)-2-hydroxypropoxy)azetidin-1-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid1-(6-Amino-3,5-difluoropyridin-2-yl)-7-(3-(3-((1-(6-amino-3,5-difluoropyridin-2-yl)-3-carboxy-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)amino)-2-hydroxypropoxy)azetidin-1-yl)-8-chloro-6-fluoro-
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 238 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,740
물리화학적 성질
- 녹는점
- 198 · 198-205 °C (decomp)
- 끓는 점
- 1086 · 1086.0±65.0 °C(Predicted)
- 밀도
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- 저장 조건
- 0 · Store at 0-8 °C
- 산도 계수 (pKa)
- 5.48 · 5.48±0.50(Predicted)
- InChIKey
- COUGBHJOXUJZMT-UHFFFAOYSA-N
- SMILES
- N1(C2=NC(N)=C(F)C=C2F)C2=C(C=C(F)C(N3CC(OCC(O)CNC4=C(Cl)C5=C(C=C4F)C(=O)C(C(O)=O)=CN5C4=NC(N)=C(F)C=C4F)C3)=C2Cl)C(=O)C(C(O)=O)=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
응용 분야
용도Delafloxacin Dimer Impurity is a byproduct in the production of Delafloxacin, a 6-fluoroquinolone antibiotic.
공급사22 곳
怀化元研达生物技术有限责任公司18711085600 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
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