EINECS 239-293-7

Molecular Formula: C₂₂H₂₂CaN₂O₉

InChI: InChI=1/C22H24N2O9.Ca/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;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;/q;+2/p-2/b20-11-;/t12u,13-,14+,17+,21-,22+;/m1./s1/fC22H22N2O9.Ca/h26,31h;/q-2;m

InChIKey: InChIKey=YFMRRHRSPCKMCG-OAGUOXRHDD
SMILES: CC1(C2C(C3C(C(=O)C(=C(N)[O-])C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)[O-])O)N(C)C)O)O.[Ca+2]

Names:
    calcium (6aS,8Z,10S,10aR,11S,12S)-8-(amino-oxido-methylidene)-10-dimethylamino-4,6a,11,12-tetrahydroxy-12-methyl-6,7,9-trioxo-10,10a,11,11a-tetrahydrotetracen-5-olate
    EINECS 239-293-7
    15251-48-6
    2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, calcium salt, (4S-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha))-
    4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide calcium salt

Registries:
    PubChem CID 5464389
    PubChem ID 214725