Basic Information
ID DDInter598
Drug Type small molecule
Molecular Formula C22H24N2O8
Molecular Weight 444.435
CAS Number 564-25-0
Description Doxycycline is a broad-spectrum antibiotic synthetically derived from [oxytetracycline].[L42880] It is a second-generation tetracycline that was first discovered in 1967.[A19429] Second-generation tetracyclines exhibit lesser toxicity than first-generation tetracyclines.[A174034] Doxycycline is used to treat a wide variety of gram-positive and gram-negative bacterial infections. It is also used to treat acne and malaria.[A251730]
ATC Classification J01AA02 A01AB22 J01AA20
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
InChI JBIWCJUYHHGXTC-AKNGSSGZSA-N
Canonical SMILES [H][C@@]12[C@@H](C)C3=CC=CC(O)=C3C(=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
Useful Links DrugBank ChEBI PubChem Substance KEGG Compound KEGG Drug ChemSpider BindingDB PharmGKB Therapeutic Targets Database Wikipedia ChEMBL ZINC
Interactions with Doxycycline
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Interactions with compound preparation
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