small molecule

Doxycycline

Synonyms/Brands: , acticlate, Doxycyclin, Doxiciclina, Doxycyclinum, doxycycline tablets, Anhydrous doxycycline, Doxycycline (anhydrous), 6-deoxy-5-oxytetracycline, 5-hydroxy--6-deoxytetracycline, 6alpha-deoxy-5-oxytetracycline, 6-alpha-deoxy-5-oxytetracycline
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: C22H24N2O8
Molecular Weight:: 444.4346
CAS:: 564-25-0
ATC:: J01AA02, A01AB22
InChiKey:: JBIWCJUYHHGXTC-AKNGSSGZSA-N
InChi:: InChI=1S/C22H24N2O8/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/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1
SMILES:: [H][C@@]12[C@@H](C)C3=C(C(O)=CC=C3)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O
IUPAC Name:: (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
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