(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one

• ChemBase编号: 110044
• 分子式: C20H32O2
• 平均质量: 304.46688
• 单一同位素质量: 304.24023026
• SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
• Canonical SMILES: O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C
• InChI: InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1
• InChIKey: WYZDXEKUWRCKOB-YDSAWKJFSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-one; (1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one
• IUPAC传统名: assimil
• 别名: 17α-甲基二氢睾酮; 17β-羟基-17α-甲基-5α-雄甾烷-3-酮; 5α-雄甾烷-17α-甲基-17β-醇-3-酮; 甲二氢睾酮; 美睾酮; 美雄诺龙; 17α-甲基雄甾-17β-醇-3-酮; 17α-Methylandrostan-17β-ol-3-one; (5α,17β)-17-Hydroxy-17-methylandrostan-3-one; 17α-Methyl-17β-hydroxy-5α-androstan-3-one; 17α-Methyl-5α-dihydrotestosterone; 17α-Methylandrostan-17β-ol-3-one; 17α-Methyldihydrotestosterone; Androstalone; Assimil; Ermalone; Mestalone; Mestanolon; Methybol; Methylandrostanolone; Methylantalon; NSC 18219; Preroide; RU 143; Tantarone; Mestanolone; 17α-METHYLANDROSTAN-17β-OL-3-ONE

登记号

• CAS号: 521-11-9
• EC号: 208-302-6
• MDL号: MFCD00021158
• PubChem SID: 162095712; 24897024
• PubChem CID: 10633

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.691834
• LogD (pH = 7.4): 3.6918342
• Log P: 3.6918342
• 摩尔折射率: 88.2413 cm^3
• 极化性: 35.343018 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Alcohol; Ether; Ethyl Acetate
• 外观: White Solid
• 熔点: 192-1930C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer
• RTECS编号: BV8064500
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 40
• 安全公开号: 22-36
• GHS危险品标识: GHS08
• GHS警示词: Warning
• GHS危险声明: H351
• GHS警示性声明: P281
• 个人保护装置: 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
• 毒品管制信息: USDEA Schedule III; Home Office Schedule 4.2; regulated under CDSA - not available from Sigma-Aldrich Canada

产品相关信息

• 纯度: 97%
• 级别: analytical standard, for drug analysis

详细说明

MP Biomedicals - 05213511

MP Biomedicals Rare Chemical collection

Toronto Research Chemicals - M225790

Anabolic steroid. Controlled substance.

参考文献

• Arriza, J., et al.: Science, 237, 268 (1987)
• Lill, M., et al.: J. Med. Chem., 47, 6174 (1987)
• Bledsoe, R., et al.: J. Biol. Chem., 280, 31283 (1987)