(1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6-oxa-5,7-diazapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4,7-dien-17-ol

• ChemBase编号: 1303
• 分子式: C20H30N2O2
• 平均质量: 330.4644
• 单一同位素质量: 330.23072821
• SMILES: O[C@@]1([C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@@H](CC3)Cc3nonc3C4)C)CC2)CC1)C)C
• Canonical SMILES: C[C@]12Cc3nonc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C
• InChI: InChI=1S/C20H30N2O2/c1-18-11-17-16(21-24-22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h12-15,23H,4-11H2,1-3H3/t12-,13+,14-,15-,18-,19-,20-/m0/s1
• InChIKey: RGLLOUBXMOGLDQ-IVEVATEUSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6-oxa-5,7-diazapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4,7-dien-17-ol; (1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6-oxa-5,7-diazapentacyclo[11.7.0.0^2,^1^0.0^4,^8.0^1^4,^1^8]icosa-4,7-dien-17-ol
• IUPAC传统名: furazabol
• 别名: (5α,17β)-17-Methylandrostano[2,3-c][1,2,5]oxadiazol-17-ol; 2,3,3aα,3bβ,4,5,5aα,6,10,10a,10bα,11,12,12a-Tetradecahydro-1α,10aβ,12aβ-trimethyl-1H-cyclopenta[7,8]phenanthro[2,3-c][1,2,5]oxadiazol-1-ol; 17-Methyl- 5α-androstano[2,3-c][1,2,5]oxadiazol-17β-ol; 17-Methyl-5α-androstano[2,3-c]furazan-17β-ol; 5α-Androstano[2,3-c]furazan-17β-ol, 17-methyl-; Frazalon; Miotolon; Qu Zhi Shu; Furazabol; 17α-methyl-5α-androsta-2,3-furazan-17β-ol

登记号

• CAS号: 1239-29-8
• PubChem SID: 46505276; 160964763
• PubChem CID: 14708
• Chemspider ID: 14032
• DrugBank ID: DB01514
• 美国药典/FDA物质标识码: 2W07HSP5PX
• 维基百科标题: Furazabol

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.9658172
• LogD (pH = 7.4): 2.9658172
• Log P: 2.9658172
• 摩尔折射率: 93.0571 cm^3
• 极化性: 36.139606 Å^3
• 极化表面积: 59.15 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 4.3
• LOG S: -4.08
• 溶解度: 2.77e-02 g/l

分子性质

药理学性质

• 给药途径: Oral
• 排泄: Urinary
• 半衰期: 4 hours

详细说明

DrugBank - DB01514

• Drug Groups: illicit; experimental
• External Links: Wikipedia

Toronto Research Chemicals - F864080

Furazabol is an anabolic steroid with hypocholesterolemic properties. This is a controlled substance (anabolic steroid).

参考文献

• Shimoi, K., et al.: Methods Enzymol, 400, 263 (2005)
• Hintikka, L., et al.: Steroids, 73, 257 (2005)
• Kicman, A., et al.: Br. J. Pharmacol., 154, 502 (2005)