醋酸去氧皮质酮结构式
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常用名 | 醋酸去氧皮质酮 | 英文名 | Deoxycorticosterone acetate |
|---|---|---|---|---|
| CAS号 | 56-47-3 | 分子量 | 372.498 | |
| 密度 | 1.1±0.1 g/cm3 | 沸点 | 504.1±50.0 °C at 760 mmHg | |
| 分子式 | C23H32O4 | 熔点 | 157°C | |
| MSDS | 中文版 美版 | 闪点 | 218.0±30.2 °C |
醋酸去氧皮质酮用途【用途一】 生化研究,肾上腺皮质激素类药物,具有抗炎、抗过敏等作用。 【用途二】
羟孕酮琥酯钠的中间体。 更多
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| 中文名 | 醋酸去氧皮质酮 |
|---|---|
| 英文名 | 21-(acetyloxy)-pregn-4-ene-3,20-dione |
| 中文别名 | 乙酸脱氧皮质甾酮 | 醋酸脱氧皮质酮 | 乙酸-11-脱氧皮质甾酮 | 21-乙酸羟基孕酮 |
| 英文别名 | 更多 |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 504.1±50.0 °C at 760 mmHg |
| 熔点 | 157°C |
| 分子式 | C23H32O4 |
| 分子量 | 372.498 |
| 闪点 | 218.0±30.2 °C |
| 精确质量 | 372.230072 |
| PSA | 60.44000 |
| LogP | 4.53 |
| InChIKey | VPGRYOFKCNULNK-ACXQXYJUSA-N |
| SMILES | CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |
| 外观性状 | 白色固体 |
| 蒸汽压 | 0.0±1.3 mmHg at 25°C |
| 折射率 | 1.542 |
| 储存条件 | Refrigerator |
| 水溶解性 | H2O: insoluble |
| 分子结构 | 1、 摩尔折射率:102.07 2、 摩尔体积(cm3/mol):324.2 3、 等张比容(90.2K):837.5 4、 表面张力(dyne/cm):44.5 5、 极化率(10-24cm3):40.46 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:0 3.氢键受体数量:4 4.可旋转化学键数量:4 5.互变异构体数量:15 6.拓扑分子极性表面积60.4 7.重原子数量:27 8.表面电荷:0 9.复杂度:707 10.同位素原子数量:0 11.确定原子立构中心数量:6 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 | 1.性状:白色结晶性粉末,无臭、无味。在空气中稳定。乙醇溶液在240nm波长处有最大吸收。 2.熔点(℃):158-161。 3.比旋光度:[α]20D+168°-+176°(二氧六环)、+179°-+184°(1%,乙醇); 溶解度:4.本品溶于氯仿(1:1.5)、丙酮(1:30)、乙醇 (1:50),微溶于乙醚(1:170),几乎不溶于水。 |
| 个人防护装备 | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| 危害码 (欧洲) | Xi |
| 安全声明 (欧洲) | S22-S24/25 |
| 危险品运输编码 | UN 2811 |
| WGK德国 | 3 |
| RTECS号 | HG0525000 |
| 包装等级 | II |
| 危险类别 | 6.1 |
| 醋酸去氧皮质酮上游产品 5 | |
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| 醋酸去氧皮质酮下游产品 7 | |
黄体酮在四氢呋喃和甲醇混合溶液中与氧化钙和碘发生碘代反应,再与醋酸钾在无水丙酮中反应成酯,最后精制而得。
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Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
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Antibacterial activity of enrofloxacin and ciprofloxacin derivatives of β-octaarginine.
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Defensive effect of natrium diethyldithiocarbamate trihydrate (NDDCT) and lisinopril in DOCA-salt hypertension-induced vascular dementia in rats.
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实验名称:Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
来源:NCGC
External Id:SNCA-p-activity-luciferase
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
来源:824
External Id:CYP273
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
来源:NCGC
External Id:HERG01
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实验名称:uHTS identification of cystic fibrosis induced NFkb Inhibitors in a fluoresence assay
来源:Burnham Center for Chemical Genomics
靶标:cystic fibrosis transmembrane conductance regulator [Homo sapiens]
External Id:SBCCG-A764-CF-PAF-Primary-Assay
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ant...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_ANT_FLUO8_1536_1X%INH PRUN
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实验名称:Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)
来源:NCGC
External Id:APP-Toga-CHIKV-nsp2-p
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| 21-Acetyloxypregn-4-ene-3,20-dione |
| 2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethylacetat |
| DOXO |
| Descotone |
| Deoxycostone Acetate |
| 2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl acetate |
| 3,20-Dioxopregn-4-en-21-ylacetat |
| Desoxycorticosterone acetate (USP) |
| Doca |
| Syncort |
| [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate |
| Acétate de 2-[(8S,9S,10R,13S,14S,17S)-10,13-diméthyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-2-oxoéthyle |
| 3,20-Dioxopregn-4-en-21-yl acetate |
| MFCD00003660 |
| EINECS 200-275-9 |
| Deoxycorticosterone acetate |