孕二烯酮（CAS 60282-87-3）：分子式 C21H26O2、分子量 310.4。
| CAS号 | 60282-87-3 |
|---|---|
| 分子式 | C21H26O2 |
| 分子量 | 310.4 |
| 熔点 | 197.9 |
| LogP | 3.45 |
| 应用领域 | Uses: MEDICATION、... a progestogen hormonal contraceptive、Use (kg) in Switzerland (2009): >1、Consumption (g per capita) in Switzerland (2009): 0.00013、Calculated removal (%): 18.9、Methods of Manufacturing: Prepn: Belg. pat. 847、090、H. Hofmeister et al.、U.S. pat. 4、081、537 (1977、1978 both to Schering AG).、It can be prepared from the 17-keto steriod [18-methylestrone methyl ether] in a multistep synthesis involving palladium-catalysed conversion of its enol ether to an enone、reduction to the corresponding allylic alcohol、partial reduction of the aromatic ring、regeneration of the enone and ethinylation.、Formulations、Preparations: Oral: Tablets: 30 ug ethinylestradiol and 50 ug gestodene、Triadene (Bayer plc).、Gestodene is available commercially as a component of combination tablets with ethinylestradiol.、General Manufacturing Information: ...manufactured or formulated in Argentina、Austria、Belgium、Brazil、Finland、France、Germany、Mexico、the Netherlands、New Zealand、Portugal、South Africa、Spain、Switzerland and the United Kingdom.、...used only in combination with ethinyloestradiol as an oral contraceptive、at a dose of 0.075mg gestodene and 20 or 30 ug ethinyloestradiol、and in a triphasic regimen at 0.05、0.07 and 0.1mg and 30、40 and 30 ug ethinyloestradiol.、Combination preparation with ethinyl estradiol: Femovan (Schering AG). |
登记用途：Uses: MEDICATION、... a progestogen hormonal contraceptive、Use (kg) in Switzerland (2009): >1、Consumption (g per capita) in Switzerland (2009): 0.00013、Calculated removal (%): 18.9、Methods of Manufacturing: Prepn: Belg. pat. 847、090、H. Hofmeister et al.、U.S. pat. 4、081、537 (1977、1978 both to Schering AG).、It can be prepared from the 17-keto steriod [18-methylestrone methyl ether] in a multistep synthesis involving palladium-catalysed conversion of its enol ether to an enone、reduction to the corresponding allylic alcohol、partial reduction of the aromatic ring、regeneration of the enone and ethinylation.、Formulations、Preparations: Oral: Tablets: 30 ug ethinylestradiol and 50 ug gestodene、Triadene (Bayer plc).、Gestodene is available commercially as a component of combination tablets with ethinylestradiol.、General Manufacturing Information: ...manufactured or formulated in Argentina、Austria、Belgium、Brazil、Finland、France、Germany、Mexico、the Netherlands、New Zealand、Portugal、South Africa、Spain、Switzerland and the United Kingdom.、...used only in combination with ethinyloestradiol as an oral contraceptive、at a dose of 0.075mg gestodene and 20 or 30 ug ethinyloestradiol、and in a triphasic regimen at 0.05、0.07 and 0.1mg and 30、40 and 30 ug ethinyloestradiol.、Combination preparation with ethinyl estradiol: Femovan (Schering AG).。
孕二烯酮 是一种化工化合物，登记 CAS 号为 60282-87-3，分子式 C21H26O2（分子量 310.4）。
登记 CAS 号：60282-87-3
其分子式 C21H26O2 由 21 个碳、26 个氢、2 个氧 组成。
别名/同义词：孕二烯酮 · Gestodene
孕二烯酮 的 CAS 登记号为 60282-87-3。
分子式 C21H26O2，分子量 310.4。
别名/同义词：孕二烯酮、Gestodene。
登记用途：Uses: MEDICATION、... a progestogen hormonal contraceptive、Use (kg) in Switzerland (2009): >1、Consumption (g per capita) in Switzerland (2009): 0.00013、Calculated removal (%): 18.9、Methods of Manufacturing: Prepn: Belg. pat. 847、090、H. Hofmeister et al.、U.S. pat. 4、081、537 (1977、1978 both to Schering AG).、It can be prepared from the 17-keto steriod [18-methylestrone methyl ether] in a multistep synthesis involving palladium-catalysed conversion of its enol ether to an enone、reduction to the corresponding allylic alcohol、partial reduction of the aromatic ring、regeneration of the enone and ethinylation.、Formulations、Preparations: Oral: Tablets: 30 ug ethinylestradiol and 50 ug gestodene、Triadene (Bayer plc).、Gestodene is available commercially as a component of combination tablets with ethinylestradiol.、General Manufacturing Information: ...manufactured or formulated in Argentina、Austria、Belgium、Brazil、Finland、France、Germany、Mexico、the Netherlands、New Zealand、Portugal、South Africa、Spain、Switzerland and the United Kingdom.、...used only in combination with ethinyloestradiol as an oral contraceptive、at a dose of 0.075mg gestodene and 20 or 30 ug ethinyloestradiol、and in a triphasic regimen at 0.05、0.07 and 0.1mg and 30、40 and 30 ug ethinyloestradiol.、Combination preparation with ethinyl estradiol: Femovan (Schering AG).。
孕二烯酮（CAS 60282-87-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 60282-87-3 |
|---|---|
| PubChem CID | 3033968 |
| Molecular formula | C21H26O2 |
| IUPAC name | (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one |
| UNII (FDA) | 1664P6E6MI |
| Molecular Weight | 310.4 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 310.193280068 |
| Monoisotopic Mass | 310.193280068 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 23 |
| Melting Point | 197.9 |
|---|---|
| Melting Point | 197.9 °C |
| LogP | 3.45 |
GESTODENE; 60282-87-3; Gestoden; Gestodeno; SH B 331; Gestodenum; DTXSID6046478; SH-B-331; 1664P6E6MI; DTXCID4026478; 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,15-dien-20-yn-3-one; 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)-; Pregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)-; 17-alpha-ethinyl-13-ethyl-17 beta-hydroxy-4,15-gonadien-3-one; RefChem:639914; 13-ethyl-17-hydroxy-18,19-dinor-17 alpha-pregna-4,15-dien-20-yn-3-one
| Reported hazard statements | H351 (28.4%), H360 (51.1%), H361 (46.6%), H362 (29.5%), H400 (28.4%), H410 (28.4%) |
|---|
H351 (28.4%): Suspected of causing cancer [Warning Carcinogenicity]
H360 (51.1%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Gestodene · CAS 60282-87-3 · C21H26O2. UNII 1664P6E6MI. Melting Point: 197.9; Melting Point: 197.9 °C; LogP: 3.45.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Gestodene