CAS 57-63-6 MFCD00003690-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17α)- 17Α-乙炔基-1,3,5(10)-雌甾三烯-1,17Β-二醇 TAO{mole}

19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17α)- 17Α-乙炔基-1,3,5(10)-雌甾三烯-1,17Β-二醇

CAS 57-63-6 MFCD00003690

化学结构图

SMILES: C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C

化学属性

Mol. Formula	C20H24O2
Mol. Weight	296
Melting Point	182-183
Density	1.422
Appearance	白色到奶白色结晶性粉。熔点145-146℃（半水合物）。182-184℃（无水物）。溶于乙醇、丙醇、乙醚、氯仿、二氧六环、植物油及氢氧化钠溶液，几乎不溶于水。无气味。
Solubility	Soluble in ethanol (59 mg/ml at 25 °C), DMF (~20 mg/ml), DMSO (59 mg/ml at 25 °C), water (0.01 mg/ml at 27 °C), and methanol.
Refractive index	-30 ° (C=0.4, Pyridine)
Stability	对光线敏感

别名和识别编码

Chemical Name	19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17α)-
CAS Number	57-63-6
Synonym	(17-alpha 17-ethynylestradiol 17ALPHA-ETHYNYL-DELTA1,3 17ALPHA-ETHYNYLESTRADIOL 17α-Ethinylestradiol 17α-Ethynylestradiol 17α-乙炔- 17α-炔雌醇;乙炔雌二醇;17α-乙炔基雌二醇;17α-乙炔-1,3,5-(10)-雌甾三烯-1,17-二醇;3-羟基-19-去甲-17α-甾-1,3,5(10)-三烯-20-炔-17-醇;17α-乙炔基-1,3,5(10)-雌甾三烯-1,17β-二醇;19-去甲-1,3,5(10),17α-雌甾三烯-20-炔-3,17-二醇 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)- 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17α)- Amenoron Chee-O-Genf Esteed Estinyl Estradiol, Ethinyl Estradiol, Ethynyl Ethinyl Estradiol Ethinyl Estradiol Hemihydrate Ethinyl Estradiol, (8 alpha)-Isomer Ethinyl Estradiol, (8 alpha,17 alpha)-Isomer Ethinyl Estradiol, (8 alpha,9 beta,13 alpha,14 beta)-Isomer Ethinyl Estradiol, (9 beta,17 alpha)-Isomer {PubChe
PubChem Substance ID	5991
EC Number	200-342-2
Beilstein Registry Number	2419975
MDL Number	MFCD00003690
Reaxys-RN	7177007
Merck Number	3734
Chemical Name Translation	17Α-乙炔基-1,3,5(10)-雌甾三烯-1,17Β-二醇
LabNetwork Molecule ID	LN00243285
InChI	InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

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分类

{SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Antibiotics, Biochemicals and Reagents, Chemical Structure, Chromatography, Clinical Standards, E, EQ - EZ, Estrogens (C18) and Derivatives, Ethinylestrad
{SNA} Bioactive Small Molecule Alphabetical Index, Cytokines, Growth Factors and Hormones, E, Estrogen, Estrogens (C18) and Derivatives, Hormones,
{SNA} Analytical Standards, Pharmacopeia & Metrological Institutes Standards, USP Standards, USP Standards E - F, 分析/色谱
{SNA} Bioa

产品应用

A synthetic estradiol analog.

安全信息

GHS Symbol

WGK Germany3

Hazard Codes T

Hazard statements

H302 Harmful if swallowed 吞食有害
H350 May cause cancer 可能致癌
H351 Suspected of causing cancer 怀疑致癌
H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
H362 May cause harm to breast-fed children 可能对母乳喂养的婴儿造成伤害
H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。

Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

RTECSRC8925000

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P203
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P263 Avoid contact during pregnancy/while nursing. 怀孕/哺乳期间避免接触。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P273 Avoid release to the environment. 避免释放到环境中。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P301+P312
P301+P312+P330
P301+P317
P305+P351+P338
P308+P313
P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
P318
P319
P330 Rinse mouth. 漱口
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger Warning

Safety Statements

S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；

Risk Statements

R45 May cause cancer 可能致癌
R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Storage condition 储存温度-20°C 储存温度2-8℃

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 mg/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 67,455,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 621 mg/kg
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   12,274,1952

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 2738 ug/kg/10Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - angiosarcoma
REFERENCE :
   MJAUAJ Medical Journal of Australia.  (Australasian Medical Pub. Co. Ltd.,
   71-79 Arundel St., Glebe, N.S.W., Australia)  V.1-    1914-
   Volume(issue)/page/year: 1,473,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6 ug/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Endocrine - tumors
   Skin and Appendages - tumors
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 6,885,1980

其他信息

MSDS 信息:17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol(57-63-6).msds
MOL 文件:57-63-6.mol
炔雌醇价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 E0037 炔雌醇 Ethynylestradiol 5G 1180元 2014/06/02 E0037 炔雌醇 Ethynylestradiol 1G 420元
F:8
Ethinyl Estradiol 是一种口服生物有效的雌激素，在几乎所有的现代复方口服避孕药丸的配方中使用。
TCI Shanghai:炔雌醇 Ethynylestradiol,>;98.0%(T)(57-63-6)
方法一:由雌酮（C18H22O2，[53-16-7]）乙炔化而得：将甲苯异丁醇、氢氧化钾及异丁醇加热回流共沸脱水8h，加四氢呋喃，于25-40℃下通入乙炔至需要量度。再加雌酮四氢呋喃溶液，在5-10℃继续通乙炔12h。用30%硫酸于40℃以下调节微酸性，减压回收四氢呋喃。用水蒸气蒸馏除去残余溶液，冷却，过滤，用水洗至中性，在80℃干燥，得乙炔雌二醇粗品。经乙醇重结晶，活性炭脱色即为成品。收率85%。
上游原料:四氢呋喃 --> 异丁醇 --> 叔丁醇锂 --> 雌酚酮
Sigma Aldrich:57-63-6(sigmaaldrich)
用途一:该品为雌激素类药。作用同乙烯雌酚，但效力强20倍。与孕激素类避孕合并使用，有抑制排卵的协同作用，可增强避孕功效，并可减少突破性出血等副作用。此外，也可用于月经紊乱，如闭经、月经过少、绝经期综合症和子宫发育不全等。供配制避孕药用。