Etamocycline

Molecular Formula: C₅₀H₆₀N₆O₁₆

InChI: InChI=1/C50H60N6O16/c1-47(69)21-11-9-13-27(57)29(21)37(59)31-23(47)17-25-35(53(3)4)39(61)33(43(65)49(25,71)41(31)63)45(67)51-19-55(7)15-16-56(8)20-52-46(68)34-40(62)36(54(5)6)26-18-24-32(42(64)50(26,72)44(34)66)38(60)30-22(48(24,2)70)12-10-14-28(30)58/h9-14,23-26,35-36,51-52,57-60,67-72H,15-20H2,1-8H3/b45-33-,46-34-/t23-,24-,25-,26-,35-,36-,47+,48+,49-,50-/m0/s1

InChIKey: InChIKey=VZQTVOOSWCIUBO-YRTNWDNRBD
SMILES: CC1(C2CC3C(C(=O)C(=C(NCN(C)CCN(C)CNC(=C4C(=O)C(C5CC6C(=C(C7=C(C6(C)O)C=CC=C7O)O)C(=O)C5(C4=O)O)N(C)C)O)O)C(=O)C3(C(=O)C2=C(C8=C1C=CC=C8O)O)O)N(C)C)O

Names:
    EINECS 239-653-3
    Etamociclina [INN-Spanish]
    Etamocycline [DCF:INN]
    Etamocycline
    Etamocyclinum [INN-Latin]
    N,N,- Ethylenebis((methylimino)methylene) bis-(4'-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide)
    (2Z,4S,4aS,5aS,6S,12aS)-2-[[[2-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxy-methyl]amino]methyl-methyl-amino]ethyl-methyl-amino]methylamino]-hydroxy-methylidene]-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
    15590-00-8
    2-Naphthacenecarboxamide, N,N'-(1,2-ethanediylbis((methylimino)methylene))bis(4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(2(4R*,4aR*,5aR*,6R*,12aR*),4alpha,4aalpha,5aalpha,6beta,12aalpha))-

Registries:
    PubChem CID 5464330
    PubChem ID 214149