4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

• ChemBase编号: 102775
• 分子式: C22H24N2O8
• 平均质量: 444.43456
• 单一同位素质量: 444.15326574
• SMILES: CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(=C1O)C(=O)N)C(=O)c1c(cccc1O)C3(C)O
• Canonical SMILES: CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)cccc2O)O)O)C
• InChI: InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)
• InChIKey: OFVLGDICTFRJMM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
• IUPAC传统名: quatrimycin
• 别名: Abramycin; Bristacycline; Democracin; Sanclomycine; Tetraverine; TETRACYCLINE FREE BASE

登记号

• CAS号: 60-54-8
• EC号: 200-481-9
• PubChem SID: 162091264
• PubChem CID: 54685734

理论计算性质

• Acid pKa: -2.2437224
• 质子受体: 9
• 质子供体: 6
• LogD (pH = 5.5): -4.3970165
• LogD (pH = 7.4): -6.222226
• Log P: -3.5476153
• 摩尔折射率: 114.1883 cm^3
• 极化性: 43.205765 Å^3
• 极化表面积: 181.62 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 170-175°C (dec.)

安全信息

• 保存条件: 0°C, Store Under Nitrogen, Protect from light
• RTECS编号: QI8750000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 危险公开号: R:22
• 安全公开号: S:36/37/39

详细说明

MP Biomedicals - 02103012

Free Base
Not less than 900 μg/mg.
Yellow crystalline powder
Acts as an inhibitor of protein synthesis by binding to the 30S subunit and inhibiting binding of aminoacyl-tRNA.