기본 정보
- CAS
117380-92-4- 표준 SMILES
CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(O)c21- InChIKey
CIMYGCZMOFJQET-UHFFFAOYSA-N- 분자식
- C16H19FN4O4
- 평균 분자량
- 350.34 g/mol
- 단동위원소 질량
- 350.13903326
이름 및 식별자
- 우선 이름
- Marbofloxacin Impurity D
- IUPAC
- 6-fluoro-8-hydroxy-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
- 영어명
- Marbofloxacin EP Impurity D
- 분자식
- C16H19FN4O4
- 분자량
- 350.34
이름 및 동의어
117380-92-4Marbofloxacin Impurity DMarbofloxacin EP Impurity DDesmethylene seco-Benzoxadiazine Marbofloxacin6-fluoro-8-hydroxy-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidDesmethyleneseco-BenzoxadiazineMarbofloxacin6-fluoro-8-hydroxy-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid6-Fluoro-1,4-dihydro-8-hydroxy-1-(methylamino)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic AcidCIMYGCZMOFJQET-UHFFFAOYSA-NKNX7G84PA2SCHEMBL2019858EN300-6501523
이름 더 보기
Marbofloxacin Impurity 4(Marbofloxacin EP Impurity D)6-Fluoro-8-hydroxy-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (Marbofloxacin Impurity)Marbofloxacin EP Impurity D/Desmethylene seco-Benzoxadiazine Marbofloxacin/6-fluoro-8-hydroxy-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-8-hydroxy-1-(methylamino)-7-(4-methyl-1-piperazinyl)-4-oxo-6-fluoro-1,4-dihydro-8-hydroxy-1-(methylamino)-7-(4-methly-1-piperazinyl)4-oxo-3-quinolinecarboxylic acid
데이터베이스 식별자
- CAS
117380-92-4- PubChem CID
- 53722968
- UNII
- KNX7G84PA2
- Nikkaji
- J3.643.408B
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 96.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 578
물리화학적 성질
- 끓는 점
- 560.7 · 560.7±60.0 °C(Predicted)
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.18 · 6.18±0.50(Predicted)
화학 및 산업
응용 분야
용도Desmethylene seco-Benzoxadiazine Marbofloxacin is an impurity of Marbofloxacin (M197000); a fluorinated quinolone antibacterial.
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