122861-53-4 (Doxycycline Hyclate Impurity F,Doxycycline Hyclate Impurity F)

CAS号:
122861-53-4
中文名称:
Doxycycline Hyclate Impurity F
英文名称:
Doxycycline Hyclate Impurity F
分子式:
C23H25NO8
分子量:
443.4465072155

Doxycycline Hyclate Impurity F(122861-53-4)名称与标识符

名称

中文别名:
盐酸强力霉素杂质F;盐酸多西环素杂质F;多西环素EP杂质F;强力霉素杂质6(强力霉素EP杂质F);
英文别名:
Doxycycline Hyclate Impurity F;(1S,4aR,11R,11aR,12S,12aR)-3-acetyl-1-(dimethylamino)-4,4a,6,7,12-pentahydroxy-11-methyl-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;Doxycycline EP impurity F;(4S,4aR,5S,5aR,6R,12aS)-2-acetyl-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-dione? (Doxycycline Impurity pound(c);1,11(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-, (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,6.ALPHA.,12A.ALPHA.))-;Doxycycline hyclate specified impurity F [EP];Doxycycline hyclate impurity F [EP];CS-0165629;DTXSID401101449;DOXYCYCLINE MONOHYDRATE IMPURITY F [EP IMPURITY];DOXYCYCLINE HYCLATE IMPURITY F [EP IMPURITY];1,11(4H,5H)-Naphthacenedione, 2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-;(4S,4aR,5S,5aR,6R,12aS)-2-Acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11(4H,5H)-naphthacenedione;122861-53-4;Doxycycline monohydrate impurity F [EP];YXY6C0J4ZX;(4S,4aR,5S,5aR,6R,12aS)-2-Acetyl-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-4a,5a,6,12atetrahydrotetracene-1,11(4H,5H)-dione;UNII-YXY6C0J4ZX;Doxycycline impurity F;2-Acetyl-2-decarbamoyldoxycycline;1,11(4H,5H)-Naphthacenedione, 2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-, (4S,4aR,5S,5aR,6R,12aS)-;SCHEMBL26193653;Q27294765;

标识符

InChIKey:
APPMTRBUFCUCRC-ACDFWTBPSA-N
Inchi:
1S/C23H25NO8/c1-8-10-6-5-7-11(26)14(10)18(27)15-12(8)19(28)16-17(24(3)4)20(29)13(9(2)25)21(30)23(16,32)22(15)31/h5-8,12,16-17,19,26-28,30,32H,1-4H3/t8-,12+,16+,17-,19-,23+/m0/s1
SMILES:
O[C@H]1[C@H]2C(=C(C3C(=CC=CC=3[C@@H]2C)O)O)C([C@@]2(C(=C(C(C)=O)C([C@H]([C@H]12)N(C)C)=O)O)O)=O

Doxycycline Hyclate Impurity F(122861-53-4)物化性质

计算特性

  • 精确分子量 : 443.15801676g/mol
  • 氢键供体数量 : 5
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 2
  • 同位素质量 : 443.15801676g/mol
  • 重原子数量 : 32
  • 复杂度 : 952
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 6
  • 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) : -0.4
  • 拓扑分子极性表面积 : 156Ų

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Doxycycline Hyclate Impurity F(122861-53-4)参考资料

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