161740-69-8 (曲安奈德杂质C(EP) 标准品,(11b,16a)-9-Fluoro-11,21,21-trihydroxy-16,17-(1-methylethylidene)bis(oxy)pregna-1,4-diene-3,20-dione)

CAS号:
161740-69-8
中文名称:
曲安奈德杂质C(EP) 标准品
英文名称:
(11b,16a)-9-Fluoro-11,21,21-trihydroxy-16,17-(1-methylethylidene)bis(oxy)pregna-1,4-diene-3,20-dione
分子式:
C24H31FO7
分子量:
450.497151613235

曲安奈德杂质C(EP) 标准品(161740-69-8)名称与标识符

名称

中文别名:
(11beta,16alpha)-9-氟-11,21,21-三羟基-16,17-[(1-甲基乙亚基)二(氧基)]孕甾-1,4-二烯-3,20-二酮;泊沙康唑-5;曲安奈德相关化合物C USP标准品;曲安奈德杂质C;曲安奈德杂质C(EP) 标准品;曲安奈德相关化合物C;
英文别名:
(11β,16α)-9-Fluoro-11,21,21-trihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione;(11β,16α)-9-Fluoro-11,21,21-trihydroxy-16,17-[(1-methylethylidene)bis(oxy)] pregna-1,4-diene-3,20-di;(11β,16α)-9-Fluoro-11,21,21-trihydroxy-16,17-[(1-methylethylidene)bis(oxy)] pregna-1,4-diene-3,20-dione;UNII-S0B64T183I;Triamcinolone Acetonide Related Compound C;Triamcinolone Acetonide 21-Aldehyde Hydrate;9-Fluoro-11beta,21,21-trihydroxy-16alpha,17-(1-methylethylidenedioxy)pregna-1,4-diene-3,20-dione;Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21,21-trihydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-;21-Hydroxy triamcinolone acetonide;(11b,16a)-9-Fluoro-11,21,21-trihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione;9-Fluoro-11beta,21,21-trihydroxy-16alpha,17-(1-methylethylidenedioxy)pregna-1,4-diene-3,20-dione (Triamcinolone Acetonide 21-Aldehyde Hydrate);TRIAMCINOLONE ACETONIDE IMPURITY C [EP IMPURITY];Triamcinolone Acetonide Related Compound C, Triamcinolone Acetonide 21-Aldehyde Hydrate;Q27288393;(11beta,16alpha)-9-Fluoro-11,21,21-trihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dio;(11beta,16alpha)-9-Fluoro-11,21,21-trihydroxy-16,17-[(1-Methylethylidene)bis(oxy)];9-FLUORO-11.BETA.,21,21-TRIHYDROXY-16.ALPHA.,17-(1-METHYLETHYLIDENEDIOXY)PREGNA-1,4-DIENE-3,20-DIONE;PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11,21,21-TRIHYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-;Triamcinolone acetonide specified impurity C [EP];(1S,2S,4R,8S,9S,11S,12R,13S)-8-(2,2-dihydroxyacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;161740-69-8;S0B64T183I;

标识符

InChIKey:
ASTBRKVQRYGLJO-DGGKRYAMSA-N
Inchi:
1S/C24H31FO7/c1-20(2)31-17-10-15-14-6-5-12-9-13(26)7-8-21(12,3)23(14,25)16(27)11-22(15,4)24(17,32-20)18(28)19(29)30/h7-9,14-17,19,27,29-30H,5-6,10-11H2,1-4H3/t14-,15-,16-,17+,21-,22-,23-,24-/m0/s1
SMILES:
F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@@H]3[C@](C(C(O)O)=O)([C@@]1(C)C[C@@H]2O)OC(C)(C)O3)=O)C

曲安奈德杂质C(EP) 标准品(161740-69-8)物化性质

实验特性

  • 沸点 : 591.6±50.0 °C at 760 mmHg
  • 熔点 : >239°C (dec.)
  • 蒸气压 : 0.0±3.8 mmHg at 25°C
  • 闪点 : 311.6±30.1 °C
  • 密度 : 1.4±0.1 g/cm3

计算特性

  • 精确分子量 : 450.20538149g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 2
  • 同位素质量 : 450.20538149g/mol
  • 重原子数量 : 32
  • 复杂度 : 956
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2
  • 拓扑分子极性表面积 : 113Ų

曲安奈德杂质C(EP) 标准品(161740-69-8)参考资料

Reaxys RN:
PubChem CID: