97583-08-9 (盐酸多西环素杂质D(4-差向-6-差向多西环素),4-Epi-6-epi DoxycyclineDiscontinued)

CAS号:
97583-08-9
中文名称:
盐酸多西环素杂质D(4-差向-6-差向多西环素)
英文名称:
4-Epi-6-epi DoxycyclineDiscontinued
分子式:
C22H24N2O8
分子量:
444.434566497803

盐酸多西环素杂质D(4-差向-6-差向多西环素)(97583-08-9)名称与标识符

名称

中文别名:
4-表6-表多西环素;4epi-6epi强力霉素;4-表-6-表多西环素;黄芩素;盐酸多西环素杂质D(4-差向-6-差向多西环素);多西环素EP杂质D;
英文别名:
4-Epi-6-epi DoxycyclineDiscontinued;(4R,4aS,5R,5aS,6R,12aR)-4-(Dimethylamino)-3,5,10,12,12a-pentahydr oxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracen ecarboxamide;4EPI-6EPI DOXYCYCLINE;Doxycycline EP impurity D;(4R,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (ACI);2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4R-(4α,4aβ,5β,5aβ,6α,12aβ)]- (ZCI);

标识符

InChIKey:
JBIWCJUYHHGXTC-HEMWUFRKSA-N
Inchi:
1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10-,14-,15-,17+,22+/m1/s1
SMILES:
O[C@]12C(O)=C3C(C4C(O)=CC=CC=4[C@H]([C@H]3[C@H](O)[C@H]1[C@H](C(=C(C2=O)C(=O)N)O)N(C)C)C)=O

盐酸多西环素杂质D(4-差向-6-差向多西环素)(97583-08-9)物化性质

实验特性

  • LogP : 0.80210
  • PSA : 182.61000

计算特性

  • 精确分子量 : 444.15300

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