2-hydroxypropane-1,2,3-tricarboxylic acid; {2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine

• ChemBase编号: 51112
• 分子式: C32H36ClNO8
• 平均质量: 598.08314
• 单一同位素质量: 597.2129448
• SMILES: C(CC(=O)O)(CC(=O)O)(C(=O)O)O.C(=C(\c1ccccc1)/Cl)(/c1ccc(cc1)OCCN(CC)CC)\c1ccccc1
• Canonical SMILES: OC(=O)CC(C(=O)O)(CC(=O)O)O.CCN(CCOc1ccc(cc1)/C(=C(/c1ccccc1)\Cl)/c1ccccc1)CC
• InChI: InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-
• InChIKey: PYTMYKVIJXPNBD-OQKDUQJOSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydroxypropane-1,2,3-tricarboxylic acid; {2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine; (2-{4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy}ethyl)diethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
• IUPAC传统名: citro; clomifene; citro; clomifenum; citro; clomiphene
• 别名: Clomid; Serophene; Milophene; Clomifene citrate; Chloramiphene; Chloramiphene Citrate; 2-Chloro-1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-Diphenylethylene; 2-(p-(2-Chloro-1,2-Diphenyl Vinyl)phenoxy)triethylamine Citrate (1:1); CLOMIPHENE CITRATE SALT; {2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy]ethyl}di ethylamine 2-hydroxy-1,2,3-propanetricarboxylate (

登记号

• CAS号: 50-41-9
• EC号: 200-035-3
• MDL号: MFCD00082252
• PubChem SID: 162055875
• PubChem CID: 3033832

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1481478
• LogD (pH = 7.4): 4.573795
• Log P: 6.474938
• 摩尔折射率: 133.7612 cm^3
• 极化性: 48.233112 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 116.5°C

安全信息

• 保存条件: -20°C; 2-8°C
• 保存注意事项: IRRITANT
• RTECS编号: YE0875000
• TSCA收录: false

药理学性质

• 作用靶点: Estrogen receptor

产品相关信息

• 成盐信息: citrate

详细说明

MP Biomedicals - 02190174

Citrate Salt
Crystalline
Mixture of cis - and trans- isomers.

Selleck Chemicals - S2561

Biological Activity:
Clomifene citrate (Serophene) is a selective estrogen receptor modulator. Clomifene citrate (Serophene) increases production of gonadotropins by inhibiting negative feedback on the hypothalamus. Clomifene citrate (Serophene) is used mainly for ovarian stimulation in female infertility due to anovulation (e.g., infertility in polycystic ovary syndrome). Therapeutically, clomifene citrate (Serophene) is given early in the menstrual cycle. Clomifene citrate (Serophene) is typically prescribed beginning on day 1, 3 or 5 and continuing for 5 days. By that time, FSH level is rising steadily, causing development of a few follicles. Follicles in turn produce the estrogen, which circulates in serum. Clomifene acts by inhibiting the action of estrogen on the pituitary. [1]

参考文献

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