17-Beta-雌二醇 3-甲醚

17-Beta-雌二醇 3-甲醚 基本信息
CAS号 1035-77-4 分子式 C19H26O2
分子量 286.40900 精确质量 　286.19300
PSA 　29.46000 LogP 　3.91220
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等价的CAS号：

1035-77-4,2445-32-1,2919-56-4,3434-76-2,3855-62-7,4896-45-1,6570-46-3,6888-38-6,14088-14-3,15426-93-4,16994-40-4,17021-78-2,17337-41-6,19115-71-0,25089-52-5,27984-64-1,51606-70-3,53776-51-5,54274-76-9,55902-77-7,55923-99-4,80374-08-9,90025-05-1,94535-16-7
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
1035-77-4
3D弹球模型：
立即前往扯扯看
分子式：
C19H26O2
分子量：
286.40900
中文名称：
17-Beta-雌二醇 3-甲醚
英文名称：
(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
中文别名：
17-Beta-雌二醇 3-甲醚
英文别名：
(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol;
3-methoxyestra-1,3,5(10)-trien-17-|A-ol;
EINECS 213-858-8;
17beta-Estradiol 3-methyl ether;
[3H]-3-Methoxyestradiol;
Oestradiol 3-methyl ether;
[14C]-3-Methoxyestradiol;
3-Methoxyoestradiol;
3-O-Methyl Estradiol;
Estradiol 3-methyl ether;
3-Methoxyestradiol;
Estradiol-17beta-3-methyl ether
精确分子量/精确质量：
286.19300
极性分子表面积/PSA：
29.46000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: ULAADVBNYHGIBP-GFEQUFNTSA-N

物化性质展开↓

密度：
1.109 g/cm3
沸点：
428.8ºC at 760 mmHg
闪点：
187.9ºC
折射率：
1.566
蒸汽压：
4.07E-08mmHg at 25°C

合成路线查看所有的合成路线

  • 1624-62-0

    3-甲氧基雌酮

  • →

    ~95%

  • 1035-77-4

    17-Beta-雌二醇 3-甲醚

  • 1624-62-0

    3-甲氧基雌酮

  • →

    ~92%

  • 1035-77-4

    17-Beta-雌二醇 3-甲醚

  • +

  • 1091-93-6

    (17B)-3-甲氧基雌甾-2,5(10)-二烯-17-醇

  • 50-28-2

    雌二醇

  • +

  • 74-88-4

    甲基碘

  • →

    ~91%

  • 1035-77-4

    17-Beta-雌二醇 3-甲醚

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG7732000
CHEMICAL NAME :
Estra-1,3,5(10)-trien-17-beta-ol, 3-methoxy-
CAS REGISTRY NUMBER :
1035-77-4
LAST UPDATED :
198910
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C19-H26-O2
MOLECULAR WEIGHT :
286.45
WISWESSER LINE NOTATION :
L E5 B666TTT&J E1 FQ OO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
REFERENCE :
ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 49,193,1965
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2500 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Fertility - other measures of fertility
REFERENCE :
ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 49,193,1965
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
132 ug/kg
SEX/DURATION :
female 3 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 47,444,1964
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1050 ug/kg
SEX/DURATION :
female 3-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 47,444,1964
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
3 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
85GRAA "The Control of Fertility," Pincus, G., New York, Academic Press, 1965 Volume(issue)/page/year: -,57,1965

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