CAS: 976-71-6; Canrenone

• ⚠️《2026年兴奋剂目录》
• 英文名称Canrenone
• 中文名称坎利酮
• IUPAC名称(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-1,3',4',8,9,10,11,12,13,14,15,16-dodecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H)-dione
• 其它别名17-hydroxy-3-oxo-17a-pregna-4,6-diene-21-carboxylic acid gamma-lactone
• CAS编号976-71-6
• MFCD编号:MFCD00071735
• EINECS号:213-554-5
• FDA UNII编号:78O20X9J0U
• 分子式:C22H28O3
• 分子量:340.46
• 产品CID: 2022546
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• InChIKey: UJVLDDZCTMKXJK-WNHSNXHDSA-N
• InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数0.0

物理性质

• 熔点158-160 °C
• 沸点541.1±50.0 °C at 760 mmHg
• 闪点237.6±30.2 °C
• 密度1.2±0.1 g/cm3
• PH:D +24.5° (chloroform)
• PSA:43.37
• LogP:2.99
• 折射率1.581
• 蒸汽压0.0±1.4 mmHg at 25°C
• 溶解性DMSO: Soluble20mg/mL, Clear
• 外观形态白色至米色粉末
• 储存条件室温
• 产品应用安体舒通的中间体.本身为醛甾酮拮抗剂.
• 性质描述微黄色或乳白色结晶性粉末(乙酸乙酯).熔点149-151°C,165°C固化并重熔.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS09;
  注释: Health hazard & Environment
• 危险类别致癌性 类别2
  水生慢性毒性 类别2
  生殖毒性 类别2
  特定目标器官毒性-重复接触 类别2
  致突变性 类别2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经口)
  水生慢性毒性 类别3
  急性毒性 类别4(经皮)
• 警示词Warning(警告)
• 危险描述H351 |怀疑致癌.
  H411 |对水生生物有毒并具有长期持续影响.
  H361 |怀疑对生育能力或胎儿造成损害.
  H373 |长期或反复接触可能损害器官.
  H341 |怀疑导致遗传缺陷.
  H361d |怀疑对胎儿造成损害.
  H332 |吸入有害.
  H302 |吞咽有害.
  H412 |对水生生物有害并具有长期持续影响.
  H312 |皮肤接触有害.
• 防范说明P280
• 危险等级9
• UN编号UN 3077 9 / PGIII
• 危险品标志Xn,N
• 安全声明36/37-61
• 危险类别码40-51/53
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 53866-20-9 = 976-71-6
  反应条件:1.1 Reagents: Dimethylformamide Catalysts: Poly(4-Vinylpyridine) Solvents: 2-Methyltetrahydrofuran; 6 H,65 °C
  标题:Method For Preparing Spironolactone Intermediate Canrenone Using Lactone And Dimethylformamide
  参考文献:China]
  
  2181-04-6 = 976-71-6
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Chloroform,Water
  标题:6,7-Dihydroxy-6,7-Dihydrocanrenone Isomers: Improved Synthesis And Proton Nmr Study
  作者:Tal,Daniel M.
  参考文献:Steroids 日期:1989 卷标:54(1) 页码:113-22]
  
  2649-76-5 = 976-71-6
  反应条件:1.1 Reagents: Chloranil Solvents: Methanol,Dichloromethane,Water; 1 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; 1 H,Rt
  标题:Improved Synthesis Of Canrenone,Intermediate Of Eplerenone
  作者:Zhang,Yinghua; Xiong,Zhigang; Qiu,Guofu; Liang,Shucai; Li,Zongtao; Et Al
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2005 卷标:15(4) 页码:241-243]
  
  13934-61-7 = 976-71-6
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid Solvents: 1,4-Dioxane; 10 Min,Rt1.2 Reagents: 2,3-Dichloro-5,6-Dicyano-1,4-Benzoquinone; Rt -> 30 °C; 12 H,30 °C; 30 °C -> Rt1.3 Reagents: Sodium Bicarbonate,Sodium Bisulfite Solvents: Water; 10 Min,Rt
  标题:Facile And Highly Efficient Synthesis Of Canrenone
  作者:He,Shihua
  参考文献:Zhongguo Xiandai Yingyong Yaoxue 日期:2010 卷标:27(1) 页码:30-32]
  
  976-70-5 = 976-71-6
  反应条件:1.1 Reagents: Acetic Acid,Pyridine,Sodium Acetate,N-Bromosuccinimide Solvents: Acetone,Water; 15 Min,0 °C; 1.5 H,-2 - 2 °C1.2 Reagents: Lithium Carbonate (Li2Co3),Lithium Bromide Solvents: Dimethylformamide; Rt -> 100 °C; 3 H,100 - 105 °C
  标题:Method For Synthesis Of Spironolactone Intermediate Canrenone
  参考文献:China]
  
  2181-04-6 = 976-71-6 [标题:Reaction Conditions
  标题:Fluorine-Substituted Corticosteroids: Synthesis And Evaluation As Potential Receptor-Based Imaging Agents For Positron Emission Tomography Of The Brain
  作者:Pomper,Martin G.; Kochanny,Monica J.; Thieme,Andrea M.; Carlson,Kathryn E.; Vanbrocklin,Henry F.; Et Al
  参考文献:Nuclear Medicine And Biology 日期:1992 卷标:19(4) 页码:461-80]
  
  13934-61-7 = 976-71-6
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 0 °C; 4 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; Rt1.3 Reagents: Chloranil Solvents: Tert-Butanol; Rt; 3 H,80 °C
  标题:One-Pot γ-Lactonization Of Homopropargyl Alcohols Via Intramolecular Ketene Trapping
  作者:Yamane,Daichi; Tanaka,Haruna; Hirata,Akihiro; Tamura,Yumiko; Takahashi,Daichi; Et Al
  参考文献:Organic Letters 日期:2021 卷标:23(7) 页码:2831-2835]
  
  105-53-3 + 53866-24-3 = 976-71-6
  反应条件:1.1 Reagents: Sodium Ethoxide,Monopotassium Phosphate Solvents: Ethanol; 0.3 H,78 °C1.2 4 H,78 °C1.3 Reagents: Acetic Acid; Ph 81.4 Reagents: Water1.5 Reagents: Water; 24 H,100 °C
  标题:Simple Cost-Effective Preparation Method Of Canrenone With High Yield And Purity
  参考文献:China]
  
  = 976-71-6
  反应条件:1.1 Solvents: Ethylene Glycol,Water; 50 °C -> 90 °C
  标题:Method For Synthesizing Canrenone
  参考文献:China]
  
  20802-57-7 = 976-71-6
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin,N-Bromosuccinimide Solvents: Acetone,Water1.2 Reagents: Lithium Carbonate (Li2Co3),Lithium Bromide Solvents: Dimethylformamide
  标题:Method Of Synthesis Of γ-Lactone 3 Of (7α-Acetylthio-17β-Hydroxy-3-Oxoandrost-4-Ene-17α-Yl)Propionic Acid
  参考文献:Russian Federation]
  
  2649-76-5 = 976-71-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Dimethylformamide,Water; 1 H,0 °C1.2 Reagents: Lithium Carbonate (Li2Co3),Lithium Bromide; 0 °C -> 100 °C; 2.5 H,100 °C
  标题:Synthesis Of Spironolactone
  作者:Wang,Hongxia; Ye,Jingquan; Jiang,Zhongxing
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2005 卷标:36(1) 页码:1-3]
  
  2649-76-5 = 976-71-6
  反应条件:1.1 Reagents: Chloranil Solvents: Methanol,1,2-Dichloroethane; 1.5 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; 1 H,Rt
  标题:Method Of Preparing Spirolactone
  参考文献:China]
  
  2649-76-5 = 976-71-6
  反应条件:1.1 Reagents: Chloranilic Acid Solvents: Methanol,1,2-Dichloroethane,Water; 1 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; 1 H,Rt
  标题:A Method For Preparing Canrenone
  参考文献:China]
  
  2649-76-5 = 976-71-6
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin,Sodium Dithionate,Hydrogen Bromide Solvents: 2-Methylpyridine,N-Methyl-2-Pyrrolidone,Water; -10 - -15 °C; 1.5 - 2 H,-10 °C; 1.5 - 2 H,-10 °C1.2 Solvents: Water; 2 H,0 °C1.3 Reagents: Lithium Bromide; 90 - 95 °C; 95 °C -> 40 °C; 2 H,Rt1.4 Reagents: Acetic Acid,Potassium Hydroxide,Hydrochloric Acid Solvents: Water; 40 - 50 °C; 50 °C -> 80 °C
  标题:An Improved Process For The Preparation Of Canrenone And Its Intermediate
  参考文献:India]
  
  = 976-71-6
  反应条件:1.1 Reagents: Calcium Carbonate,Calcium Bromide Solvents: Dimethylformamide,Dichloromethane; 95 °C; 1.5 H,95 °C
  标题:Dehydrogenation Method For Preparing Canrenone By Bromination With N-Bromosuccinimide And Debromination With Calcium Bromide And Calcium Carbonate
  参考文献:China

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2901241000-1,3-丁二烯
  2905122000-异丙醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管