(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide

• ChemBase编号: 72801
• 分子式: C22H24N2O9
• 平均质量: 460.43396
• 单一同位素质量: 460.14818036
• SMILES: C1(=C([C@H]([C@H]2[C@@](C1=O)(C(=O)C1=C(c3c([C@]([C@H]1[C@@H]2O)(O)C)cccc3O)O)O)N(C)C)O)C(=O)N
• Canonical SMILES: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)O)C
• InChI: InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-28,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
• InChIKey: JLGOGFIHBRJQHY-PXOLEDIWSA-N

名称和登记号

名称

• IUPAC标准名: (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide
• IUPAC传统名: (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy-6-methyl-1,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
• 别名: Terramycin; Liquamycin; Oxytetracycline

登记号

• CAS号: 79-57-2
• PubChem SID: 162037722
• PubChem CID: 54675779

理论计算性质

• Acid pKa: 0.2717006
• 质子受体: 10
• 质子供体: 7
• LogD (pH = 5.5): -4.791391
• LogD (pH = 7.4): -5.624763
• Log P: -4.764702
• 摩尔折射率: 115.3049 cm^3
• 极化性: 43.96009 Å^3
• 极化表面积: 201.85 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S1773

Research Area: Infection
Biological Activity:
Oxytetracycline(Terramycin) was the second of the broad-spectrum tetracycline group of antibiotics to be discovered. Oxytetracycline works by interfering with the ability of bacteria to produce proteins that are essential to them. Without these proteins the bacteria cannot grow, multiply and increase in numbers. Oxytetracycline therefore stops the spread of the infection and the remaining bacteria are killed by the immune system or eventually die. Oxytetracycline is a broad spectrum antibiotic that is active against a wide variety of bacteria. Oxytetracycline is still used to treat infections caused by chlamydia (e.g. the chest infection psittacosis, the eye infection trachoma, and the genital infection urethritis) and infections caused by mycoplasma organisms. [1]

参考文献

• http://en.wikipedia.org/wiki/Oxytetracycline