53-33-8 (帕拉米松,Paramethasone)

帕拉米松(53-33-8)名称与标识符

名称

中文别名:
帕拉米松;N-去甲普鲁氯嗪马来酸氢盐;帕那麦载松;
英文别名:
Paramethasone;6a-Fluoro-11b,17a,21-trihydroxy-16a-methyl-1,4-pregnadiene-3,20-dione;16a-Methyl-6a-fluoroprednisolone;6a-Fluoro-16a-methylprednisolone;Cortiden;Pregna-1,4-diene-3,20-dione, 6-fluoro-11,17,21-trihydroxy-16-methyl-, (6alpha,11beta,16alpha)-;(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;DB01384;Parametasona [INN-Spanish];Cassenne;(6alpha,11beta,16alpha)-6-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione;Parametasone [DCIT];Paramethasone [INN:BAN];LS-175409;Q7135218;CHEMBL1579;Paramethasonum;(6.ALPHA.,11.BETA.,16.ALPHA.)-6-FLUORO-11,17,21-TRIHYDROXY-16-METHYLPREGNA-1,4-DIENE-3,20-DIONE;EINECS 200-169-2;D07464;1,4-PREGNADIEN-6-ALPHA-FLUORO-16-ALPHA-METHYL-11-BETA,17,21-TRIOL-3,20-DIONE;(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one;C07413;Parametasona;Dillar (TN);PARAMETHASONE [WHO-DD];(6-alpha,11-beta,16-alpha)-6-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione;UNII-VFC6ZX3584;Paramethason;53-33-8;Paramethasonum [INN-Latin];16alpha-Methyl-6alpha-fluoroprednisolone;Metilar;D03IKT;PARAMETHASONE [INN];VFC6ZX3584;Parametasone;Dillar;PARAMETHASONE [MI];SCHEMBL4355;6alpha-Fluoro-11beta,17,21-trihydroxy-16-methyl-pregna-1,4-diene-3,20-dione;Paramethasone (INN);Pregna-1,4-diene-3,20-dione, 6alpha-fluoro-11beta,17,21-trihydroxy-16alpha-methyl-;CHEBI:7922;DTXSID3023421;Paramezone;CS 1483;6alpha-Fluoro-16alpha-methylprednisolone;HSDB 3376;(1S,2R,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one;(6alpha,11beta,16alpha)-6-Fluoro-11,17,21-trihydroxy-16-methyl-pregna-1,4-diene-3,20-dione;6-alpha-fluoro-16-alpha-methylprednisolone;PARAMETHASONE [HSDB];AKOS040753431;PARAMETHASONE [VANDF];Flumethone;PREGNA-1,4-DIENE-3,20-DIONE, 6-FLUORO-11,17,21-TRIHYDROXY-16-METHYL-, (6.ALPHA.,11.BETA.,16.ALPHA.)-;Cortiden; 6-Fluoro-16-methylprednisolone;CS-0017521;HY-A0179;NS00041037;MKPDWECBUAZOHP-AFYJWTTESA-N;Paramethasonum (INN-Latin);H02AB05;DTXCID103421;Parametasona (INN-Spanish);(1S,2R,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-3,6-dien-5-one;DA-76594;200-169-2;FP100930;

标识符

InChIKey:
MKPDWECBUAZOHP-AFYJWTTESA-N
Inchi:
1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1
SMILES:
F[C@@H]1C2=CC(C=C[C@]2(C)[C@H]2[C@H](C[C@]3(C)[C@@](C(CO)=O)([C@H](C)C[C@H]3[C@@H]2C1)O)O)=O

帕拉米松(53-33-8)物化性质

实验特性

  • LogP : 1.75160
  • PSA : 94.83000
  • 折射率 : 1.589
  • 沸点 : 573.5°C at 760 mmHg
  • 熔点 : 228-241oC
  • 蒸气压 : 1.53E-15mmHg at 25°C
  • 闪点 : 300.6°C
  • 密度 : 1.32 g/cm3

计算特性

  • 精确分子量 : 392.20000
  • 氢键供体数量 : 3
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 2
  • 同位素质量 : 392.19990218g/mol
  • 重原子数量 : 28
  • 复杂度 : 790
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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) : 无
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 94.8Ų

帕拉米松(53-33-8)国际标准相关数据

EINECS:
200-169-2

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