1-chloro-4-[(1R)-2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene

• ChemBase编号: 72793
• 分子式: C14H10Cl4
• 平均质量: 320.0412
• 单一同位素质量: 317.95366104
• SMILES: c1c(ccc(c1)[C@H](c1ccccc1Cl)C(Cl)Cl)Cl
• Canonical SMILES: ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl
• InChI: InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H/t13-/m1/s1
• InChIKey: JWBOIMRXGHLCPP-CYBMUJFWSA-N

名称和登记号

名称

• IUPAC标准名: 1-chloro-4-[(1R)-2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene
• IUPAC传统名: 1-chloro-4-[(1R)-2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene
• 别名: Lysodren; Mitotan; Mitotane

登记号

• CAS号: 53-19-0
• PubChem SID: 162037714
• PubChem CID: 6713041

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.110365
• LogD (pH = 7.4): 6.110365
• Log P: 6.110365
• 摩尔折射率: 79.9654 cm^3
• 极化性: 30.937008 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 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 - S1732

Research Area: Cancer
Biological Activity:
Mitotane(Lysodren), is an antineoplastic medication used in the treatment of adrenocortical carcinoma. It is an isomer of DDD and is a derivative of DDT. Its main use is in those patients who have persistent disease despite surgical resection, those who are not surgical candidates, or those who have metastatic disease. [1]

参考文献

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