604-26-2
中文名称
17beta-hydroxy-1alpha-methylandrost-4-ene-3-one
英文名称
17beta-hydroxy-1alpha-methylandrost-4-ene-3-one
CAS
604-26-2
分子式
C20H30O2
分子量
302.45
MOL 文件
604-26-2.mol
结构式
基本信息
中文别名
美睾酮杂质A EP标准品
英文别名
1α-Methyltestosterone
Mesterolone impurity A CRS
17β-Hydroxy-1α-methylandrost-4-en-3-one
(1α,17β)-17-Hydroxy-1-methylandrost-4-en-3-one
17beta-hydroxy-1alpha-methylandrost-4-ene-3-one
Androst-4-en-3-one, 17-hydroxy-1-methyl-, (1α,17β)-
(1S,8R,9S,10R,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Mesterolone impurity A CRS
17β-Hydroxy-1α-methylandrost-4-en-3-one
(1α,17β)-17-Hydroxy-1-methylandrost-4-en-3-one
17beta-hydroxy-1alpha-methylandrost-4-ene-3-one
Androst-4-en-3-one, 17-hydroxy-1-methyl-, (1α,17β)-
(1S,8R,9S,10R,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
物理化学性质
| 熔点 | 190-191 °C |
| 沸点 | 438.9±45.0 °C(Predicted) |
| 密度 | 1.10±0.1 g/cm3(Predicted) |
| 蒸气压 | 0.001Pa at 25℃ |
| 储存条件 | 2-8°C |
| 酸度系数(pKa) | 15.06±0.70(Predicted) |
| 形态 | neat |
| 水溶解性 | 90mg/L at 25℃ |
| 主要应用 | pharmaceutical (small molecule) |
| InChI | 1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15-,16-,17-,18-,19-,20-/m0/s1 |
| InChIKey | KROXBRXHRBCDNO-IFMMWYRXSA-N |
| SMILES | O[C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@]4([C@H](CC(=O)C=C4CC3)C)C)CC2)CC1)C |
| LogP | 2.92 at 25℃ |
安全数据
| 危险性符号(GHS) |   GHS08,GHS09 |
| 警示词 | 警告 |
| 危险性描述 | H361fd-H411 |
| 防范说明 | P201-P273-P280-P308+P313-P391-P501 |
| WGK Germany | WGK 3 |
| REACH 注册登记 | Inactive |
| 存储类别 | 11 - Combustible Solids |
| 危险性类别 | Aquatic Chronic 2 Repr. 2 |