DOXYCYCLINE CALCIUM

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: C₂₂H₂₃CaN₂O₈⁺

InChI: InChI=1/C22H24N2O8.Ca/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;/h4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;/q;+2/p-1/b21-13-;/t7-,10+,14+,15-,17-,22-;/m1./s1/fC22H23N2O8.Ca/h26h;/q-1;m

InChIKey: InChIKey=GHXMXAYJXAVUJM-UTVPORRLDZ
SMILES: CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)[O-])O)N(C)C)O.[Ca+2]

Names:
    calcium (6aR,8Z,10R,10aS,11R,11aR,12S)-8-(amino-hydroxy-methylidene)-10-dimethylamino-4,6a,11-trihydroxy-12-methyl-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate
    DOXYCYCLINE CALCIUM

Registries:
    PubChem CID 5362430
    PubChem ID 197116