(1R,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-1-fluoro-17-hydroxy-2,8,15-trimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-14-yl acetate

• ChemBase编号: 169146
• 分子式: C24H31FO5
• 平均质量: 418.4983432
• 单一同位素质量: 418.21555231
• SMILES: C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)OC(=O)C)C)O)F)C)C
• Canonical SMILES: O=C1C=C[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C
• InChI: InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1
• InChIKey: YRFXGQHBPBMFHW-SBTZIJSASA-N

名称和登记号

名称

• IUPAC标准名: (1R,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-1-fluoro-17-hydroxy-2,8,15-trimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-3,6-dien-14-yl acetate
• IUPAC传统名: fluorometholone acetate
• 别名: (6α,11β)-17-(Acetyloxy)-9-fluoro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione; 6α-Methyl-9α-fluoro-17-acetoxy-21-deoxyprednisolone; Eflone; Flarex; NSC 47438; Oxylone Acetate; U 17323; Fluorometholone Acetate

登记号

• CAS号: 3801-06-7
• PubChem SID: 162263278
• PubChem CID: 240767

理论计算性质

• Acid pKa: 13.640568
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.8619895
• LogD (pH = 7.4): 2.8619893
• Log P: 2.8619895
• 摩尔折射率: 110.0192 cm^3
• 极化性: 42.809925 Å^3
• 极化表面积: 80.67 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; DMSO; Methanol
• 外观: Off-White to Pale Yellow Solid
• 熔点: 232-234°C

安全信息

• 保存条件: -20°C Freezer

药理学性质

• 作用靶点: Others

产品相关信息

• 成盐信息: Free Base

详细说明

Toronto Research Chemicals - F593150

Fluorometholone Acetate is a glucocorticoid; anti-inflammatory.

参考文献

• Kupferman, A., et al.: Arch. Ophthalmol., 100, 640 (1982)
• Tokunaga, H., et al.: Chem. Pharm. Bull., 32, 4012 (1982)