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

• ChemBase编号: 105807
• 分子式: C22H25ClN2O8
• 平均质量: 480.8955
• 单一同位素质量: 480.12994345
• SMILES: Cl.CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(=C1O)C(=N)O)C(=O)c1c(cccc1O)C3(C)O
• Canonical SMILES: CN(C1C(=C(C(=N)O)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)cccc2O)O)O)C.Cl
• InChI: InChI=1S/C22H24N2O8.ClH/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);1H
• InChIKey: XMEVHPAGJVLHIG-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-carboximidic acid hydrochloride
• IUPAC传统名: 4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboximidic acid hydrochloride
• 别名: ACHROMYCIN HCl; POLYCYCLINE HCl; TETRACYCLINE HYDROCHLORIDE; TETRACYCLINE HYDROCHLORIDE, γ-IRRADIATED; TETRACYCLINE HYDROCHLORIDE, USP

登记号

• CAS号: 64-75-5
• EC号: 200-593-8
• PubChem SID: 162087278
• PubChem CID: 54686181

理论计算性质

• Acid pKa: 3.740074
• 质子受体: 10
• 质子供体: 7
• LogD (pH = 5.5): -3.300444
• LogD (pH = 7.4): -5.212699
• Log P: -3.29658
• 摩尔折射率: 125.1249 cm^3
• 极化性: 43.16452 Å^3
• 极化表面积: 182.61 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: 214°C

安全信息

• 保存条件: 0°C; 0°C, Protect from light
• RTECS编号: QI9100000
• 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

产品相关信息

• 纯度: >98%
• 级别: USP

详细说明

MP Biomedicals - 02194542

Cell Culture Reagent
Hydrochloride
Not less than 900 μg/mg.
Yellow crystalline powder

MP Biomedicals - 02194798

γ-Irradiated
Molecular Biology Reagent
Hydrochloride
Prevents protein synthesis by inhibiting aminoacyl-tRNA binding to ribosomes.
Purity: >98%