137174-25-5 (布地奈德杂质G,Budesonide Related Compound G)

CAS号:
137174-25-5
中文名称:
布地奈德杂质G
英文名称:
Budesonide Related Compound G
分子式:
C25H36O6
分子量:
432.55

布地奈德杂质G(137174-25-5)名称与标识符

名称

中文别名:
1,2-二氢布地奈德;布地奈德相关化合物G USP标准品;布地奈德杂质G;布地奈德杂质G(EP) 标准品;布地奈德EP杂质G;布地奈德杂质G (1,2-DIHYDRO 布地奈德);布地奈德EP杂质G(1,2-二氢布地奈德)(非对映异构体混合物);布地奈德相关化合物G(USP);布地奈德杂质G(EP);布地奈德杂质07;
英文别名:
1,2-Dehydrobudesonide;1,2-Dihydrobudesonide (Mixture of diastereomers);1,2-DIHYDROBUDESONIDE;1,2-Dihydrobudesonide (Mixture of diastereomers);16α,17-[Butylidenebis(oxy)]-11β, 21-dihydroxypregna-4-ene-3,20-dione;16alpha,17-[butylidenebis(oxy)]-11beta, 21-dihydroxypregna-4-ene-3,20-dione;Budesonide EP Impurity G;CID 145714368;Budesonide IMpurity G (1, 2-Dihydro Budesonide);Budesonide Impurity 7(Budesonide EP Impurity G);16α,17-[(1RS)-butylidenebis(oxy)]-11β,21-dihydroxypregn-4-ene-3,20-dione;Budesonide EP Impurity G (1,2-Dihydro Budesonide) (Mixture of Diastereomers);Budesonide Impurity 10/Budesonide EP Impurity G/1,2-Dihydro Budesonide(Mixture of Diastereomers);16alpha,17-[(1RS)-Butylidenebis(oxy)]-11beta,21-dihydroxypregn-4-ene-3,20-dione (1,2-Dihydrobudesonide);6CM8K04THA;1,2-Dihydrobudesonide [USP];(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-10-propyl-5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4(2H)-one (Budesonide Impurity;137174-25-5;(11.BETA.,16.ALPHA.)-16,17-(BUTYLIDENEBIS(OXY))-11,21-DIHYDROXYPREGN-4-ENE-3,20-DIONE;UNII-6CM8K04THA;(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.0,.0,.0,icos-17-en-16-one;SCHEMBL2016044;1,2-DIHYDROBUDESONIDE [USP IMPURITY];Pregn-4-ene-3,20-dione, 16,17-(butylidenebis(oxy))-11,21-dihydroxy-, (11beta,16alpha)-;(1S,2S,4R,8S,9S,11S,12S,13R)-11-Hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one;UEXJIOHTZFZGOQ-KWVAZRHASA-N;CS-0166432;(11beta,16alpha)-16,17-(Butylidenebis(oxy))-11,21-dihydroxypregn-4-ene-3,20-dione;PREGN-4-ENE-3,20-DIONE, 16,17-(BUTYLIDENEBIS(OXY))-11,21-DIHYDROXY-, (11.BETA.,16.ALPHA.)-;(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a-dimethyl-8-propyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]-dioxol-2-one;BUDESONIDE IMPURITY G [EP IMPURITY];

标识符

InChIKey:
UEXJIOHTZFZGOQ-AZRPQECNSA-N
Inchi:
1S/C25H36O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h10,16-18,20-22,26,28H,4-9,11-13H2,1-3H3/t16-,17-,18-,20-,21?,22-,23-,24-,25+/m0/s1
SMILES:
O1C(CCC)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(CC[C@]5(C)[C@@H]4[C@H](C[C@]3(C)[C@]12C(CO)=O)O)=O

布地奈德杂质G(137174-25-5)物化性质

实验特性

  • 沸点 : 596.7±0.0 °C at 760 mmHg
  • 熔点 : Not available
  • 蒸气压 : 0.0±0.0 mmHg at 25°C
  • 闪点 : 199.7±0.0 °C
  • 溶解度 : Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly, Heat
  • 酸度系数(pKa) : 12.87±0.10(Predicted)
  • 密度 : 1.3±0.0 g/cm3

计算特性

  • 精确分子量 : 432.25118886g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 4
  • 同位素质量 : 432.25118886g/mol
  • 重原子数量 : 31
  • 复杂度 : 821
  • 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 : 1
  • 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 : 93.1

布地奈德杂质G(137174-25-5)海关数据

海关编码:
2937290000

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布地奈德杂质G(137174-25-5)参考资料

Reaxys RN:
PubChem CID: