7-[(4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride

• ChemBase编号: 44462
• 分子式: C21H25ClFN3O4
• 平均质量: 437.8923032
• 单一同位素质量: 437.1517622
• SMILES: n1(c2c(c(=O)c(c1)C(=O)O)cc(c(N1C[C@H]3[C@@H](C1)NCCC3)c2OC)F)C1CC1.Cl
• Canonical SMILES: COc1c(N2C[C@@H]3[C@H](C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.Cl
• InChI: InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1
• InChIKey: IDIIJJHBXUESQI-DFIJPDEKSA-N

名称和登记号

名称

• IUPAC标准名: 7-[(4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
• IUPAC传统名: moxifloxacin hydrochloride
• 别名: Moxifloxacin hydrochloride; 1-Cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride; Moxifloxacin hydrochloride; Avelox; Avalox

登记号

• CAS号: 186826-86-8
• MDL号: MFCD00949117
• Beilstein号: 8377447
• PubChem SID: 162049225
• PubChem CID: 101526

理论计算性质

• Acid pKa: 5.6861296
• 质子受体: 7
• 质子供体: 2
• LogD (pH = 5.5): -0.79074246
• LogD (pH = 7.4): -0.4932184
• Log P: -0.49897495
• 摩尔折射率: 106.224 cm^3
• 极化性: 39.591274 Å^3
• 极化表面积: 82.11 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO

安全信息

• 保存条件: -20°C
• 保存注意事项: IRRITANT
• RTECS编号: VB1983750
• 德国WGK号: 2
• TSCA收录: false

产品相关信息

• 纯度: 98%; 99%
• 级别: VETRANAL™, analytical standard
• 成盐信息: hydrochloride
• Empirical Formula (Hill Notation): C21H24FN3O4· HCl

详细说明

Selleck Chemicals - S1465

Research Area: Infection
Biological Activity:
Moxifloxacin(Avelox, Avalox) is a fourth generation synthetic fluoroquinolone antibacterial agent. Moxifloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria. It functions by inhibiting DNA gyrase, a type II topoisomerase and topoisomerase IV, which is an enzyme necessary to separate bacterial DNA, thereby inhibiting cell replication. [1]

Sigma Aldrich - 32477

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

参考文献

• http://www.rxlist.com/vigamox-drug.htm