Compuesto químico

Doxiciclina

(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C22H24N2O8

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SMILES

C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O

Propiedades

Fórmula: C22H24N2O8
Peso molecular: 444.4 g/mol
PubChem CID: 54671203
InChIKey: SGKRLCUYIXIAHR-AKNGSSGZSA-N
XLogP: -0.7
TPSA: 182 Å²
Donadores H: 6
Aceptores H: 9

Acceso por API

/api/molecule?name=4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidic acid

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