Mestranol 美雌醇

CAS 72-33-3 MFCD00003689

化学结构图

72-33-3
SMILES: C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C

化学属性

Mol. FormulaC21H26O2
Mol. Weight310
Melting Point149.0 to 153.0 deg-C
Density1.422
SolubilityDMSO 15 mg/mL Water <1 mg/mL Ethanol 25 mg/mL

别名和识别编码

Chemical NameMestranol
CAS Number72-33-3
Synonym 17α-Ethynyloestradiol 3-methyl ether 17a-ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl eth {Chemicalbook} { (8R,9S,13S,14S,17R)-17-ETHYNYL-3-METHOXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-17-OL {uni_hamburg} (17?)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol 17α-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy- 8027 C. B. 17α-Ethinyl oestradiol 3-methyl ether SC 4725 3-Methoxyethynylestradiol C ETHYNYLESTRADIOL 3-METHYL ETHER {uni_hambu 17α-Ethinyl estradiol 3-methyl ether 17ALPHA-ETHYNYL-1,3,5(10)-ESTRATRIENE-3,17BETA-DIOL 3-METHYL ETHER Devocin 33355 17α-乙炔基-1,3,5(10)-雌三烯-3,17β-二醇 3-甲醚;17α-乙炔雌二醇 3 EE3ME 17alpha-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy- mestranol 19-nor-17α-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy- 3-methoxy-(17βH)-19-nor-pregna-1,3,5(10)-trien-20-yn-17-ol 17A-ETHYNYLESTRADIOL 3-METHYLTHER 17ALPHA-ETHYNYLESTRADIOL 3-METHYL ETHER 3-methoxy-19-nor-17α-pregna-1,2,5(10)-triene-20-yn-17-ol (17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol 17α-乙炔基-1,3,5(10)-雌三烯-3,17β-二醇 3-甲醚 17α-乙炔雌二醇 3-甲醚 3-甲氧基-17α-乙炔雌二醇 NSC 84032 (17-alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol 17-ALPHA-ETHINYL-OESTRADIOL-3-METHYL ETHER δ-MVE 17α-乙炔基-1,3,5(10)-雌三烯-3,17β-二醇 3-甲醚 17α-乙炔雌二醇 3-甲醚 3-甲氧基-17α-乙炔雌二醇 NSC 84032 3-METHOXY-17ALPHA-ETHYNYLESTRADIOL 17alpha-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol,3-methoxy- 3-Methylethynylestradiol {uni_ha MESTRANOL 1,3,5(10)-ESTRATRIEN-17-A
MDL NumberMFCD00003689
PubChem Substance ID6291
Beilstein Registry Number2625905
EC Number200-777-8
Reaxys-RN4702873
Merck Number5917
Chemical Name Translation美雌醇
LabNetwork Molecule IDLN00840566
InChIInChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
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分类

  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Additional Standards, Analytical Standards, Chromatography, Mestranol, Pharmaceutical Standards, 分析/色谱
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metaboli
  • Pharmaceuticals
  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; alcohol; ether; 1fragment
  • Intermediates & Fine Chemicals
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Analytical Standards, Analytical/Chromatography, Chromatography, Clinical Standards, Hormones, Mestranol, Pharmaceutical Standards
  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Complex Molecules
  • Steroids,

产品应用

  • Orally active estrogenic steroid. It was the estrogen used in many of the first oral contraceptives.

相关文献及参考

  • Goldzieher, J.W., et al.: Contraception, 21,17 (1980),
  • El-Obeid, H.A., et al.: Anal. Profiles Drug Subs., 11, 375 (1982),
  • Spellacy, W.N., et al.: Metabolism, 31, 106 (1982),
  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P405 Store locked up. 上锁保管。
  • 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。
  • 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。
Hazard statements
  • H351 Suspected of causing cancer 怀疑致癌
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSRC8960000
Signal word Warning
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
Hazard Codes Xn
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • 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；
  • 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）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R48 Danger of serious damage to health by prolonged exposure 长期接触有严重损害健康的危险
Storage condition 储存温度-20°C 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2400 ug/kg/17W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - other changes
REFERENCE :
   PAACA3 Proceedings of the American Association for Cancer Research. (Waverly
   Press, 428 E. Preston St., Baltimore, MD 21202)  V.1-    1954-
   Volume(issue)/page/year: 21,76,1980

其他信息

  • Acros Organics:炔雌醇甲醚 Ethynylestradiol 3-methyl ether, 97%(72-33-3)
  • 美雌醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0728 炔雌醇甲醚 Mestranol 5G 2420元 2014/06/02 M0728 炔雌醇甲醚 Mestranol 1G 734元 2010/06/21 227191000 美雌醇 Ethynylestradiol 3-methyl ether 97% 100 MG 470元
  • 美雌醇
  • 美雌醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 M0728 炔雌醇甲醚 Mestranol 5G 2000元 2011/04/16 M0728 炔雌醇甲醚 Mestranol 1G 606元 2010/06/21 227191000 美雌醇 Ethynylestradiol 3-methyl ether 97% 100 MG 470元
  • TCI Shanghai:炔雌醇甲醚 Mestranol,>;98.0%(LC)(72-33-3)
  • MSDS 信息:17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl ether(72-33-3).msds
  • 图谱信息:美雌醇(72-33-3)质谱(MS) 美雌醇(72-33-3)红外图谱(IR1) 美雌醇(72-33-3)核磁图( 13 CNMR) 美雌醇(72-33-3)红外图谱(IR2)
  • Sigma Aldrich:72-33-3(sigmaaldrich)
  • MOL 文件:72-33-3.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Complex Molecules - Chiral Building Blocks
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Complex Molecules - Chiral Building Blocks
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Pharmaceutical Standards - Chromatography
  5. API Metabolites - Pharmaceutical Standards
  6. All alphabetical sorted - Active Pharmaceutical Ingredients (API) and its Metabolites
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Acetylenes 炔烃
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Steroids

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