1524-86-3 (氢化曲安奈德,9-Fluoro-16a,17-(isopropylidenedioxy) Corticosterone)

CAS号:
1524-86-3
中文名称:
氢化曲安奈德
英文名称:
9-Fluoro-16a,17-(isopropylidenedioxy) Corticosterone
分子式:
C24H33FO6
分子量:
436.51363158226

氢化曲安奈德(1524-86-3)名称与标识符

名称

中文别名:
氢化曲安奈德;醋酸联苯胺;氢化曲安奈德Hydrotriamcinolone Acetate;曲安奈德EP杂质E;
英文别名:
9-Fluoro-16a,17-(isopropylidenedioxy)corticosterone;9-Fluoro-11b,21-dihydroxy-16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione;9-Fluoro-16a,17-(isopropylidenedioxy)-corticosterone;9-Fluoro-16α,17-(isopropylidenedioxy) Corticosterone;9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxy-pregna-4-ene-3,20-dione;Hydrotriamcinolone Acetonide;HydrotriaMcinolone Acetate;NSC 21915;Triamcinolone Acetonide EP Impurity E;11β,16α,17α,21-Tetrahydroxy-9α-fluoropregn-4-ene-3,20-dione 16,17-Acetonide;9-fluoro-11β,21-dihydroxy-16α,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione;9α-FLUORO-11β,16α,17α,21-TETRAHYDROXY-PREGNA-4-ENE-3,20-DIONECYCLIC16,17-ACETAL;9-fluoro-11beta,21-dihydroxy-16alpha,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione;11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-9.ALPHA.-FLUOROPREGN-4-ENE-3,20-DIONE 16,17-ACETONIDE;(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one;Corticosterone,17-(isopropylidenedioxy)-;PREGN-4-ENE-3,20-DIONE, 9-FLUORO-11,21-DIHYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-;2H-Naphth[2',5]indeno[1,2-d][1,3]dioxole, pregn-4-ene-3,20-dione deriv.;A-Fluoro-11;TRIAMCINOLONE ACETONIDE IMPURITY E [EP IMPURITY];UNII-UX031M662V;UX031M662V;1524-86-3;Q27116120;A,21-tetrahydroxy-pregna-4-ene-3,20-dione cyclic16,17-acetal with acetone;(11beta,16alpha)-9-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione;EINECS 216-195-2;9-Fluoro-16alpha,17-(isopropylidenedioxy) Corticosterone;11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide;A,16;(1S,2S,4R,8S,9S,11S,12R,13S)-12-FLUORO-11-HYDROXY-8-(2-HYDROXYACETYL)-6,6,9,13-TETRAMETHYL-5,7-DIOXAPENTACYCLO[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]ICOS-17-EN-16-ONE;1,2-DIHYDROTRIAMCINOLONE ACETONIDE;NSC-21915;AKOS015901715;MLS002638824;AC-3523;Pregn-4-ene-3,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone;A854243;Pregn-4-ene-3, 9-fluoro-11.beta.,21-dihydroxy-16.alpha.,17-(isopropylidenedioxy)-;9-FLUORO-11.BETA.,21-DIHYDROXY-16.ALPHA.,17- (ISOPROPYLIDENEDIOXY)PREGN-4-ENE-3,20-DIONE;Pregn-4-ene-3, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone;9;NSC21915;CORTICOSTERONE, 9-FLUORO-16.ALPHA.,17-DIHYDROXY-, CYCLIC 16,17-ACETAL WITH ME2CO;Q-101383;A,17;DTXSID001118751;BCP20556;(+)-1,2-DIHYDROTRIAMCINOLONE ACETONIDE;SCHEMBL8904914;Pregn-4-ene-3, 9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)-, (11.beta.,16.alpha.)-;CHEBI:34509;(11I(2),16I+/-)-9-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione;9-Fluoro-16a,17-(isopropylidenedioxy) Corticosterone;

标识符

InChIKey:
TZFZVQNBXVBQDC-JNQJZLCISA-N
Inchi:
1S/C24H33FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h9,15-17,19,26,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
SMILES:
F[C@@]12[C@@]3(C)CCC(C=C3CC[C@H]1[C@@H]1C[C@@H]3[C@](C(CO)=O)([C@@]1(C)C[C@@H]2O)OC(C)(C)O3)=O

氢化曲安奈德(1524-86-3)物化性质

实验特性

  • LogP : 2.64280
  • PSA : 93.06000
  • 折射率 : 1.574
  • 沸点 : 575.7°Cat760mmHg
  • 闪点 : 575.7°Cat760mmHg
  • 密度 : 1.31

计算特性

  • 精确分子量 : 436.22600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 2
  • 同位素质量 : 436.226
  • 重原子数量 : 31
  • 复杂度 : 883
  • 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) : 2.3
  • 拓扑分子极性表面积 : 93.1A^2

氢化曲安奈德(1524-86-3)国际标准相关数据

EINECS:
216-195-2

氢化曲安奈德(1524-86-3)海关数据

海关编码:
2937229000
海关数据:

中国海关编码:

2937229000

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氢化曲安奈德(1524-86-3)参考资料

Reaxys RN:
PubChem CID: