127-31-1 (氟氢可的松,Fludrocortisone)

CAS号:
127-31-1
中文名称:
氟氢可的松
英文名称:
Fludrocortisone
分子式:
C21H29FO5
分子量:
380.450370550156
简介:
氟氢可的松能抑制结缔组织的增生,降低毛细血管和细胞膜的通透性,减少炎性渗出,抑制组胺及其他炎症递质的形成与释放,抗炎作用较氢化可的松强15倍左右。主要为盐皮质激素作用,虽有一定的糖皮质激素的活性,但常用剂量无明显糖皮质激素作用。

氟氢可的松(127-31-1)名称与标识符

名称

中文别名:
氟氢可的松;氟氢可松;氟氢可松-D5;氟氢可的松溶液,100PPM;
英文别名:
Fludrocortisone;9a-Fluoro-11b,17a,21-trihydroxy-4-pregnene-3,20-dione;9a-Fluoro-17-hydroxycorticosterone;(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one;9α-Fludrocortisone;9α-Fluorcortisol;Alflorone;Astonin-H;Florinef;FLUDROCORTISONE, USP;Fludrocortone;Fludrone;Fluohydrisone;Fluohydrocortisone;Fluorocortisol;Fluorocortisone;f-col;u5963;f-cortef;fludronef;NSC 11318;Astonin H-d5;U 5963;FLUDROCORTISONE [MI];LMST02030103;EINECS 204-833-2;Pregn-4-ene-3,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-;GTPL2873;HSDB 3332;Prestwick_648;W-108386;9alpha-Fluoro-11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione;Fludrocortisone (INN);SCHEMBL4545;9 Fluorohydrocortisone;NCGC00181081-01;Cortisol, 9-fluoro-;Tox21_113344;HY-B1203;9alpha-Flourocortisol;9-AF;9alpha-fluoro-11beta,17alpha,21-trihydroxy-pregn-4-ene-3,20-dione;Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11.beta.)-;9.alpha.-Fluorcortisol;bmse000987;DTXCID503061;C07004;CHEMBL1201388;9-Fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione, (11.beta.)- #;DB00687;9-alpha-Fluoro-17-hydroxycorticosterone;9 alpha Fluorohydrocortisone;Corticosterone, 9-fluoro-17-hydroxy-;BRN 3014278;Hydrocortisone-9alpha-fluoro;4-08-00-03427 (Beilstein Handbook Reference);9-alpha-Fluorocortisol;NSC11318;9-AFH;StC 1400;9.alpha.-Fluoro-17-hydroxycorticosterone;(11alpha)-9-fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione;9 Fluorocortisol;Fludrocortisona;9-alpha-Fludrocortisone;EN300-19737599;D07967;NSC-11318;Pregn-4-ene-3, 9-fluoro-11.beta.,17,21-trihydroxy-;Astonin-H (TN);Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11beta)-;(11.beta.)-9-Fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione;9 .alpha. FF;9-Fluoro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione;9alpha-Fluorocortisol;(11beta)-9-Fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione;FLUDROCORTISONE [INN];9 alpha FF;NCGC00274078-01;9alpha-Fluoro-hydrocortisone;FLUDROCORTISONE [VANDF];U0476M545B;WLN: L E5 B666 OV MUTJ A1 BF CQ E1 FV1Q FQ;(1R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one;9-Fluoro-17-Hydroxycortisone;9alpha-Fluoro-17-hydroxycorticosterone;127-31-1 (free);Pregn-4-ene-3, 9-fluoro-11,17,21-trihydroxy-, (11.beta.)-;Fludrocortisona (INN-Spanish);9alpha-Fludrocortisone;Fludrocortisone [INN:BAN];9 alpha-Fluoro-17-Hydroxycorticosterone;9 alpha Fluoro 17 Hydroxycorticosterone;Tox21_112700;9-Fluoro-11.beta.,21-trihydroxypregn-4-ene-3,20-dione;FLUDROCORTISONE [HSDB];FLUDROCORTISONE [WHO-DD];9-Fludrocortisone;9-Fluorcortisol;Fludrocortison;bmse001009;UNII-U0476M545B;AKOS040742512;Fluodrocortisone;9-alpha-Fluorohydrocortisone;Fludrocortisonum;Pregn-4-ene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-;ZK5;CAS-127-31-1;CHEBI:50885;NS00010380;9.alpha.-Fluorohydrocortisone;9 Fluoro 17 Hydroxycortisone;Tox21_113344_1;9.alpha.-Fluoro-11.beta.,17.alpha.,21-trihydroxy-4-pregnene-3,20-dione;9 alpha-Fluorohydrocortisone;Pregn-4-ene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-;9alpha-Fluorohydrocortisone;9-Fluorohydrocortisone;9 alpha Fludrohydrocortisone;(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one;9-Fluoro-11-beta,17,21-trihydroxypregn-4-ene-3,20-dione;9.alpha.-Fluorocortisol;CS-4832;DTXSID7023061;9-Fluoro-11.beta.,17,21-trihydroxypregn-4-ene-3,20-dione;Fludrocortisonum [INN-Latin];Fludrocortisonum (INN-Latin);127-31-1;9.alpha.-Fluoro-11.beta.,21-trihydroxy-4-pregnene-3,20-dione;Fludrocortisona [INN-Spanish];Q2697578;9-Fluorocortisol;DA-63474;G60915;

标识符

MDL:
MFCD00083333
InChIKey:
AAXVEMMRQDVLJB-BULBTXNYSA-N
Inchi:
1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
SMILES:
F[C@]12[C@H](C[C@]3(C)[C@@](C(CO)=O)(CC[C@H]3[C@@H]1CCC1=CC(CC[C@]21C)=O)O)O

氟氢可的松(127-31-1)物化性质

实验特性

  • LogP : 1.87370
  • PSA : 94.83000
  • 熔点 : 208-212°C
  • 比旋光度 : D23 +139° (c = 0.55 in 95% ethanol)
  • 密度 : 1.1176 (estimate)

计算特性

  • 精确分子量 : 380.20000
  • 氢键供体数量 : 3
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 同位素质量 : 380.19990218g/mol
  • 重原子数量 : 27
  • 复杂度 : 734
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 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 : 15
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 94.8Ų

氟氢可的松(127-31-1)国际标准相关数据

EINECS:
204-833-2

氟氢可的松(127-31-1)海关数据

海关编码:
2937210000
海关数据:

中国海关编码:

2937210000

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