Ethynodiol diacetate 双醋炔诺醇

CAS 297-76-7 MFCD00083326

化学结构图

297-76-7
SMILES: C#CC1(OC(C)=O)CCC2C3CCC4=CC(OC(C)=O)CCC4C3CCC21C

化学属性

Mol. FormulaC24H32O4
Mol. Weight384.52
SolubilityDMSO 77 mg/mL Water 77 mg/mL Ethanol <1 mg/mL
Melting Point128.0 to 132.0 deg-C

别名和识别编码

Chemical NameEthynodiol Diacetate
Synonym (3 beta, 17 alpha)-19-Norpregn-4-en-20-yne-3,17 diol Diacetate (3-beta,17-alpha)-19-Norpregn-4-en-20-yne-3,17-diol diacetate (3-beta,17-alpha)-19-n (3β, 17α)-19-Norpregn-4-en-20-yne-3,17-diol diacetate 3β,17β-Diacetoxy-17α-ethynyl-4-estrene Etynodiol acetate 17-(Acetyloxy)-17-ethynylestr-4-en-3-yl acetate 17-alpha-Ethynyl-19-norandrost-4-ene-3-beta,17-beta-diol diacetate 17-alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate 17-alpha-Ethynyl-4-estrene-3-beta,17-beta-diol diacetate 17-alpha-Ethynyl-4-estrene-3-beta,17-diol diacetate 17-alpha-Ethynylestr-4-ene-3-beta,17-beta-diol acetate 17-alpha-ethynyl-19-norandrost-4-ene-3-beta,17-beta-dioldiacetate 17-alpha-ethynyl-3,17-dihydroxy-4-estrenediacetate 17-alpha-ethynyl-4-e 17-alpha-ethynyl-4-estrene-3-beta,17-beta-dioldiacetate
MDL NumberMFCD00083326
PubChem Substance ID9270
CAS Number297-76-7
EC Number206-044-9
Chemical Name Translation双醋炔诺醇
Wiswesser Line NotationL E5 B666 MUTJ E1 FOV1 F1UU1 OOV1
LabNetwork Molecule IDLN00194294
Reaxys-RN3040143
Merck Number3860
InChIInChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
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分类

  • Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, Estrogen, Hormones, Steroid Hormones
  • {SNA} Cytokines, Growth Factors and Hormones, Estrogen, Hormones, Steroid Hormones, 细胞信号转导和神经科学, 细胞生物学
  • {SNA} Bioactive Small Molecule Alphabetical Index, Cytokines, Growth Factors and Hormones, E, Estrogen, Hormones, Steroid Hormones, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
  • {SNA} Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, Estrogen, Hormones,

相关文献及参考

  • Merck 14 ,3860

安全信息

RTECSRC8963000
WGK Germany3
GHS Symbol
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
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P308+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P317
  • P318
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
  • 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
Hazard Codes Xn
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
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Storage condition 储存温度-20°C
TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - mouse Cells - not otherwise specified
DOSE/DURATION           : 100 ug/L
REFERENCE :
   AJOGAH American Journal of Obstetrics and Gynecology.  (C.V. Mosby Co.,
   11830 Westline Industrial Dr., St. Louis, MO 63146)  V.1-    1920-
   Volume(issue)/page/year: 120,390,1974

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 16 ug/kg
REFERENCE :
   AJOGAH American Journal of Obstetrics and Gynecology.  (C.V. Mosby Co.,
   11830 Westline Industrial Dr., St. Louis, MO 63146)  V.1-    1920-
   Volume(issue)/page/year: 120,390,1974

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Mammal - domestic Cells - not otherwise specified
DOSE/DURATION           : 100 ug/L
REFERENCE :
   AJOGAH American Journal of Obstetrics and Gynecology.  (C.V. Mosby Co.,
   11830 Westline Industrial Dr., St. Louis, MO 63146)  V.1-    1920-
   Volume(issue)/page/year: 120,390,1974

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Mammal - cattle Cells - not otherwise specified
DOSE/DURATION           : 10 mg/L
REFERENCE :
   AJOGAH American Journal of Obstetrics and Gynecology.  (C.V. Mosby Co.,
   11830 Westline Industrial Dr., St. Louis, MO 63146)  V.1-    1920-
   Volume(issue)/page/year: 120,390,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1400 ug/kg
SEX/DURATION            : female 14 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
REFERENCE :
   CCPTAY Contraception.  (Geron-X, Inc., POB 1108, Los Altos, CA 94022)  V.1-
   1970-  Volume(issue)/page/year: 5,57,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 840 ug/kg
SEX/DURATION            : female 24 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
   FESTAS Fertility and Sterility.  (American Fertility Soc., 608 13th Ave. S,
   Birmingham, AL 35282) V.1-    1950-  Volume(issue)/page/year: 25,927,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 5 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   YACHDS Yakuri to Chiryo.  Pharmacology and Therapeutics.  (Raifu Saiensu
   Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan)  V.1-    1972-
   Volume(issue)/page/year: 6,1321,1978

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 240 mg/kg
SEX/DURATION            : male 30 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 :
   STEDAM Steroids.  (Holden-Day Inc., 4432 Te

其他信息

  • Sigma Aldrich:297-76-7(sigmaaldrich)
  • MOL 文件:297-76-7.mol
  • MSDS 信息:19-Nor-17a-pregn-4-en-20-yne-3b,17-diol diacetate(297-76-7).msds
  • Ethynodiol diacetate是第一批合成的避孕药用孕激素之一。

系列性分类


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