(4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-3,5,6,10,12,12A-Hexahydroxy-6-Methyl-1,11-Dioxo-1,4,4A,5,5A,6,11,12A-Octahydro-2-Tetracenecarboxamide Dihydrate
[CAS# 32075-29-9]

Identification

• Name: (4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-3,5,6,10,12,12A-Hexahydroxy-6-Methyl-1,11-Dioxo-1,4,4A,5,5A,6,11,12A-Octahydro-2-Tetracenecarboxamide Dihydrate
• Molecular Formula: C₂₂H₂₈N₂O₁₁
• Molecular Weight: 496.46
• CAS Registry Number: 32075-29-9
• SMILES: C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=C(C(=O)[C@]3(C(=C2C(=O)C4=C1C=CC=C4O)O)O)C(=O)N)O)N(C)C)O)O.O.O
• InChI: 1S/C22H24N2O9.2H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);2*1H2/t12-,13-,14+,17+,21-,22+;;/m1../s1
• InChIKey: SRRPEXWCHWWJOC-JEKSYDDFSA-N

References

• (1): Guillaume Suárez, Young-Hyun Jin, Janko Auerswald, Stefan Berchtold, Helmut F. Knapp, Jean-Marc Diserens, Yves Leterrier, Jan-Anders E. Månson and Guy Voirin. Lab-on-a-chip for multiplexed biosensing of residual antibiotics in milk, Lab Chip, 2009, 9, 1625.