doxycycline

PubChem Notes:

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: C22H24N2O7


InChI: InChI=1/C22H24N2O7/c1-7-8-5-4-6-9(25)11(8)18(27)13-10(7)17(26)12-14(19(13)28)20(29)15(22(23)31)21(30)16(12)24(2)3/h4-7,10,12,14,16-17,25-27,31H,23H2,1-3H3/b22-15+/t7-,10+,12+,14+,16-,17-/m0/s1

InChIKey: InChIKey=YSURNDIMEJHEOC-ILBFPADTBF
SMILES: CC1C2C(C3C(C(=O)C2=C(C4=C1C=CC=C4O)O)C(=O)C(=C(N)O)C(=O)C3N(C)C)O

Names:
    AIDS-122508
    AIDS122508
    doxycycline
    (2E,4S,4aR,5R,5aS,6R,12aR)-2-(amino-hydroxy-methylidene)-4-dimethylamino-5,10,11-trihydroxy-6-methyl-4,4a,5,5a,6,12a-hexahydrotetracene-1,3,12-trione
    2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,(4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-
    564-25-0

Registries:
    PubChem CID 5464620
    PubChem ID 218899