기본 정보
- CAS
126458-22-8- 표준 SMILES
C[C@@H]1CN(c2c(F)c(O)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1- InChIKey
ORZZEIYHQYCPRF-DTORHVGOSA-N- 분자식
- C19H21F2N3O4
- 평균 분자량
- 393.4 g/mol
- 단동위원소 질량
- 393.15001248
이름 및 식별자
- 우선 이름
- Desfluoro 5-hydroxy orbifloxacin
- IUPAC
- 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
- 영어명
- Orbifloxacin EP Impurity D
- 분자식
- C19H21F2N3O4
- 분자량
- 393.39
이름 및 동의어
126458-22-8Desfluoro 5-hydroxy orbifloxacinUNII-2899SY5GHK2899SY5GHKRel-1-cyclopropyl-7-((3S,5R)-3,5-dimethylpiperazin-1-yl)-6,8-difluoro-5-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-7-(cis-3,5-dimethylpiperazin-1-yl)-6,8-difluoro-5-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-5-hydroxy-4-oxo-, cis-Orbifloxacin EP Impurity D5-hydroxy SparfloxacinCHEMBL45209Orbifloxacin impurity D [EP]
이름 더 보기
OrbifloxacinEPImpurityDHClSparfloxacin Hydroxy Impurity3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-5-hydroxy-4-oxo-, cis- (9CI)
1-cyclopropyl-7-((3S,5R)-3,5-dimethylpiperazin-1-yl)-6,8-difluoro-5-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acidORBIFLOXACIN IMPURITY D [EP IMPURITY]1-Cyclopropyl-7-((3R,5S)-3,5-dimethylpiperazin-1-yl)-6,8-difluoro-5-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acidDesfluoro 5-Hydroxy Orbifloxacin; 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-5-hydroxy-4-oxo-, cis- (9CI); 1-Cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 5-Des
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 691
물리화학적 성질
- 끓는 점
- 635.8 · 635.8±55.0 °C(Predicted)
- 밀도
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.06 · 6.06±0.20(Predicted)
화학 및 산업
응용 분야
용도Desfluoro 5-Hydroxy Orbifloxacin is an impurity of Orbifloxacin. An antibacterial agent.
공급사5 곳
济南百隆化学有限公司[email protected] · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
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