基本情報
- CAS
126458-22-8- 標準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- 分子式
- C19H21F2N3O4
- 平均分子量
- 393.4 g/mol
- 単同位体質量
- 393.15001248
名称と識別子
- 優先名称
- 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
- 英語名
- Orbifloxacin EP Impurity D
- 分子式
- C19H21F2N3O4
- 分子量
- 393.39
名称と別名
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]
名称をさらに表示
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
データベース識別子
- CAS
126458-22-8- PubChem CID
- 10000645
- ChEMBL
CHEMBL45209- UNII
- 2899SY5GHK
- Nikkaji
- J324.328A
物性
構造計算による物性
- XLogP
- 0.4
- 極性表面積
- 93.1 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 9
- 回転可能結合数
- 3
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 691
物理化学的性質
- 沸点
- 635.8 · 635.8±55.0 °C(Predicted)
- 比重(密度)
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 6.06 · 6.06±0.20(Predicted)
化学と産業
応用分野
使用Desfluoro 5-Hydroxy Orbifloxacin is an impurity of Orbifloxacin. An antibacterial agent.
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