雌酚酮 Estrone

概况

雌酚酮化学式
  • 中文名称

    雌酚酮; α-卵泡激素; 雌甾酮; 雌(三烯酚)酮; 雌激素酮; 雌酮; 雌(甾)酮; 3-羟基雌甾-1,3,5(10)-三烯-17-酮

  • 英文名称

    Estrone; estra-1,3,5(10)-trien-3-ol-17-one; ESTRONE

  • 化学式

    C18H22O2

  • 分子量

    270.4

  • 分类属性

    芳香酮及脂肪酮脂肪醇多碳类固醇环戊烷环己烷

  • 类药性

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编码系统

物化性质

  • 物理描述 Physical Description

    Solid

  • 颜色/状态 Color Form

    Small, white crystals, or white to creamy white, crystalline powder

  • 气味 Odor

    Odorless

  • 沸点 Boiling Point

    445.2 °C

  • 熔点 Melting Point

    258-261 °C

  • 溶解度 Solubility

    One gram of estrone dissolves in 250 mL of 96% alcohol at 15 °C, in 50 mL of boiling alcohol; in 50 mL of acetone at 15 °C, in 110 mL chloroform at 15 °C, in 145 mL boiling benzene. Soluble in dioxane, pyridine, fixed alkali hydroxide solutions; slightly soluble in ether, vegetable oils.

  • 密度 Density

    1.236 g/cu cm at 25 °C

  • 蒸汽压力 Vapor Pressure

    2.49X10-10 mm Hg at 25 °C (est)

  • 稳定性/保质期 Stability Shelf Life

    Stable in air.

  • 分解 Decomposition

    When heated to decomposition it emits acrid smoke and fumes.

  • 其他实验性质 Other Experimental Properties

    Crystaline powder. Melts at 190 °C to a liquid which resolidifies and then decomposes at 245 °C. Specific optical rotation: +87.8 deg at 25 °C/D (c = 1 in 0.4% NaOH). uv max (0.04% NaOH): 275, 268 nm (epsilon 838, 851). /Estropipate/

  • 辛醇/水分配系数 LogP

    2.6

  • 水溶性 Logs

    -3.96

  • 旋光度 Optical Rotation

    Specific optical rotation: +158 to +165 deg at 25 °C/D (dioxane)

  • 碰撞截面 Collision Cross Section

    164.3 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

计算性质

  • 辛醇/水分配系数 LogP

    3.1

  • 重原子数 Heavy atoms count

    20

  • 可旋转键数 Rotatable bond count

    0

  • 环数 Number of rings

    4

  • sp3杂化的碳原子比例 Carbon bond saturation (Fsp3)

    0.611

  • 拓扑面积 Polar surface area (Å)

    37.3

  • 氢给体数 Hydrogen bond donors count

    1

  • 氢受体数 Hydrogen bond acceptors count

    2

分类

ADME

吸收、分配和排泄
代谢
吸收、分配和排泄

43%

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代谢

The natural estrogens are generally quickly and well absorbed from the gastrointestinal tract, there being little difference between estrone, estradiol and estriol. Estrogens are inactivated in the liver. A proportion of absorbed estrogen is excreted in the bile and then reabsorbed from the intestine.

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安全信息

  • 危险品标志

    T

  • WGK Germany

    3

  • 危险品运输编号

    NONH for all modes of transport

  • 海关编码

    2937290090

  • 危险标志

    GHS02;GHS06;GHS08

  • RTECS号

    KG8575000

  • 包装等级

    I; II; III

  • 安全说明
    S53;S45
  • 危险类别码
    R60;R45;R61
  • 危险性描述
    H225;H301 + H311 + H331;H370
  • 危险性防范说明
    P210;P260;P280;P301 + P310 + P330;P302 + P352 + P312;P370 + P378

SDS

提供商 修订日期 查看
Accela ChemBio Inc 点击查看
COMBI-BLOCKS 2019-12-27 点击查看
Science Lab 2013-05-21 点击查看
Sigma 2021-10-30 点击查看
Sigma Aldrich 2021-12-16 点击查看
USP 2021-12-16 点击查看