13649-88-2 (地夫可特中间体,21-Deacetoxy Deflazacort)

地夫可特中间体(13649-88-2)名称与标识符

名称

中文别名:
地那查可特;地夫可特;11β-羟基-2'-甲基-5'βH-孕甾-1,4-二烯并[17,16-d]恶唑-3,20-二酮;21 Deacetoxy地夫可特;地夫可特杂质;地夫可特中间体;地夫可特中间体(D8);加替沙星2-甲基哌嗪化合物;(11B,16B)-11-羟基-2'-甲基-5'H-孕甾-1,4-二烯并[17,16d]异恶唑-3,20-二酮;D5,地那查可特;
英文别名:
Deflazacort;11b,21-Dihydroxy-2'-methyl-5'bH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione 21-acetate;DEFLAZACORT INTERMEDIATE;(4AR,4BS,5S,6AS,9AR,10AS,10BS)-6B-ACETYL-5-HYDROXY-4A,6A,8-TRIMETHYL-4A,4B,5,6,6A,6B,9A,10,10A,10B,11,12-DODECAHYDRO-9-OXA-7-AZA-PENTALENO[2,1-A]PHENANTHREN-2-ONE;(4AR,4BS,5S,6AS,9AR,10AS,10BS)-6B-ACETYL-5-HYDROXY-4A,6A,8-TRIMETHYL-4A,4B,5,6,6A,6B,9A,10,10A,10B,11,12-DODECAHYDRO-9-...;21-Deacetoxy Deflazacort;11beta-Hydroxy-2'-methyl-5'betaH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione;Desacetoxy Deflazacort;Deflazacort intermediates;Deflazacort Intermediate (D5);(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS);PREGNA-1,4-DIENE-11B-OL-17A,16A-D-2-METHYL-OXAZOLINE-3,20-DIONE;11β-hydroxy-2'-Methyl-5'βH-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione;(11beta,16beta)-11-hydroxy-2'-methyl-5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione;(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-8b-Acetyl-7-hydroxy-6a,8a,10-trimethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-4(2H)-one;YZ5KNW2BZH;(1S,2S,4R,8S,9S,11S,12S,13R)-8-acetyl-11-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one;(1S,2S,4R,8S,9S,11S,12S,13R)-8-ACETYL-11-HYDROXY-6,9,13-TRIMETHYL-5-OXA-7-AZAPENTACYCLO[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]ICOSA-6,14,17-TRIEN-16-ONE;CS-0144084;11beta-hydroxy-2'-methyl-(16beta)-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione;21-Desacetoxydeflazacort; (11beta,16beta)-11-Hydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione; 5'betaH-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 11beta-hydroxy-2'-methyl- (8CI);PD118134;HY-134520;(11beta,16beta)-11beta-hydroxy-2'-methyl-5betaH-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione;Deflzazcort intermediate;5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 11-hydroxy-2'-methyl-, (11beta,16beta)-;BCP08483;13649-88-2;5'betaH-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 11beta-hydroxy-2'-methyl-;21-Desacetoxydeflazacort;Q-102819;

标识符

InChIKey:
WQUXBQVUVGNOKK-AAZVSSJSSA-N
Inchi:
InChI=1S/C23H29NO4/c1-12(25)23-19(28-13(2)24-23)10-17-16-6-5-14-9-15(26)7-8-21(14,3)20(16)18(27)11-22(17,23)4/h7-9,16-20,27H,5-6,10-11H2,1-4H3/t16-,17-,18-,19+,20+,21-,22-,23+/m0/s1
SMILES:
O1C(C)=N[C@]2(C(C)=O)[C@@]1([H])C[C@@]1([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@@]3([H])[C@H](C[C@@]12C)O)=O

地夫可特中间体(13649-88-2)物化性质

实验特性

  • LogP : 2.45560
  • PSA : 75.96000
  • 折射率 : 1.675
  • 沸点 : 544.2±50.0 °C at 760 mmHg
  • 熔点 : 275-280 ºC
  • 蒸气压 : No data available
  • 闪点 : 282.9±30.1 °C
  • 颜色与性状 : Powder
  • 密度 : 1.39

计算特性

  • 精确分子量 : 383.21000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 1
  • 同位素质量 : 383.21
  • 重原子数量 : 28
  • 复杂度 : 872
  • 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 : 76A^2

地夫可特中间体(13649-88-2)海关数据

海关编码:
2937290090
海关数据:

中国海关编码:

2937290090