83881-09-8 (糠酸莫米松杂质D,Mometasone Furoate Impurity D)

CAS号:
83881-09-8
中文名称:
糠酸莫米松杂质D
英文名称:
Mometasone Furoate Impurity D
分子式:
C27H29ClO6
分子量:
484.97

糠酸莫米松杂质D(83881-09-8)名称与标识符

名称

中文别名:
21-氯-17α-[(2-呋喃基羰基)氧基]-9β,11β-氧-16α-甲基孕甾-1,4-二烯-3,20-二酮;糠酸莫米松杂质D;
英文别名:
21-Chloro-17α-[(2-furanylcarbonxyl)oxy]-9β,11β-oxido-16α-methylpregna-1,4-diene-3,20-dione;21-Chloro-17α-[(2-furanylcarbonxyl)oxy]-9β,11β-oxido-16α-methylpregna-1,4-diene-3,20-dione Mometason;21-Chloro-17α-[(2-furanylcarbonxyl)oxy]-9β,11β-oxido-16α-methylpregna-1,4-diene-3,20-dione Mometasone Furoate Impurity D;9,11-Epoxidemometasone furoate;(9β,11β,16α)-21-Chloro-9,11-epoxy-17-[(2-furanylcarbonyl)oxy]-16-methylpregna-1,4-diene-3,20-dione (ACI);(9beta,11beta,16alpha)-21-Chloro-9,11-epoxy-17-[(2-furanylcarbonyl)oxy]-16-methylpregna-1,4-diene-3,20-dione; Mometasone Furoate Imp. D (EP); mometasone impurity d;UNII-MXB9NYH7DP;PREGNA-1,4-DIENE-3,20-DIONE, 21-CHLORO-9,11-EPOXY-17-((2-FURANYLCARBONYL)OXY)-16-METHYL-, (9.BETA.,11.BETA.,16.ALPHA.)-;AKOS032958259;MOMETASONE FUROATE IMPURITY D [EP IMPURITY];21-Chloro-17alpha-[(2-furanylcarbonxyl)oxy]-9beta,11beta-oxido-16alpha-methylpregna-1,4-diene-3,20-dioneMometasone;(9.BETA.,11.BETA.,16.ALPHA.)-21-CHLORO-9,11-EPOXY-17-((2-FURANYLCARBONYL)OXY)-16-METHYLPREGNA-1,4-DIENE-3,20-DIONE;21-Chloro-9,11beta-epoxy-16alpha-methyl-3,20-dioxo-9beta-pregna-1,4-dien-17-yl furan-2-carboxylate;Pregna-1,4-diene-3,20-dione, 21-chloro-9,11-epoxy-17-((2-furanylcarbonyl)oxy)-16-methyl-, (9beta,11beta,16alpha)-;Mometasone furoate impurity D [EP];MXB9NYH7DP;(9beta,11beta,16alpha)-21-Chloro-9,11-epoxy-17-((2-furanylcarbonyl)oxy)-16-methylpregna-1,4-diene-3,20-dione;21-Chloro-17a-[(2-furanylcarbonxyl)oxy]-9b,11b-oxido-16a-methylpregna-1,4-diene-3,20-dioneMometasone Furoate Impurity D;21-CHLORO-9,11.BETA.-EPOXY-16.ALPHA.-METHYL-3,20-DIOXO-9.BETA.-PREGNA-1,4-DIEN-17-YL FURAN-2-CARBOXYLATE;21-Chloro-9,11?-epoxy-16?-methyl-3,20-dioxo-9?-pregna-1,4-dien-17-yl Furan-2-carboxylate;[(1S,2S,10S,11S,13R,14R,15S,17S)-14-(2-chloroacetyl)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl] furan-2-carboxylate;21-Chloro-17Alpha-[(2-furanylcarbonxyl)oxy]-9Beta,11Beta-oxido-16Alpha-methylpregna-1,4-diene-3,20-dione Mometasone Furoate Impurity D;9-De(chloro)-9,11-epoxidemometasone furoate;

标识符

InChIKey:
PGAGVJAYRDPYKY-QVWMRSGNSA-N
Inchi:
1S/C27H29ClO6/c1-15-11-19-18-7-6-16-12-17(29)8-9-24(16,2)27(18)22(33-27)13-25(19,3)26(15,21(30)14-28)34-23(31)20-5-4-10-32-20/h4-5,8-10,12,15,18-19,22H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,22+,24+,25+,26+,27-/m1/s1
SMILES:
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@]32O[C@H]3C[C@@]2([C@](C(=O)CCl)(OC(C3OC=CC=3)=O)[C@H](C)C[C@H]21)C

糠酸莫米松杂质D(83881-09-8)物化性质

计算特性

  • 精确分子量 : 484.1652663g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 5
  • 同位素质量 : 484.1652663g/mol
  • 重原子数量 : 34
  • 复杂度 : 1030
  • 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) : 4.4
  • 拓扑分子极性表面积 : 86.1Ų

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糠酸莫米松杂质D(83881-09-8)合成路线

合成路线:1 步
反应条件:
参考文献:
Unusual hydroxy-γ-sultone byproducts of steroid 21-methanesulfonylation. An efficient synthesis of mometasone 17-furoate (Sch 32088)
Draper, Richard W.; et al, Tetrahedron, 1999, 55(11), 3355-3364

糠酸莫米松杂质D(83881-09-8)参考资料

Reaxys RN:
PubChem CID: