Doxycycline calcium (internal use)

Doxycycline A synthetic TETRACYCLINE derivative with similar antimicrobial activity. Animal studies suggest that it may cause less tooth staining than other tetracyclines. It is used in some areas for the treatment of chloroquine-resistant falciparum malaria (MALARIA, FALCIPARUM).

Molecular Formula: C₂₂H₂₀Ca₂N₂O₈

InChI: InChI=1/C22H23N2O8.2Ca/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;;/h4-7,10,14-15,17,25-26,31-32H,23H2,1-3H3;;/q-1;2*+2/p-3/b21-13-;;/t7-,10+,14+,15-,17-,22-;;/m0../s1/fC22H20N2O8.2Ca/h25-26,31h;;/q-4;2m

InChIKey: InChIKey=IUXJIFQLSXIMMG-NVTAYSPFDU
SMILES: CC1C2C(C3C(C(=O)C(=C(N)[O-])C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4[O-])[O-])O)N(C)C)[O-].[Ca+2].[Ca+2]

Names:
    dicalcium (5R,5aS,6S,6aR,7S,9Z,10aS)-9-(amino-oxido-methylidene)-7-dimethylamino-10a-hydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracene-1,6,12-triolate
    Doxycycline calcium (internal use)
    EINECS 302-088-9
    2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, calcium salt (1:2), (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-
    564-25-0
    94088-85-4

Registries:
    PubChem CID 5362600
    PubChem ID 199685