Doxycycline

Synonyms: doxycycline, "Vibramycin", "Doxytetracycline", "Doxycyclinum", "Doxiciclina", "Oracea", "Monodox", "Vibra-tabs", "Doxy-Caps", "Vibravenos", "Dossiciclina", "6-Deoxytetracycline", "Doxychel", "Deoxymykoin", "Investin", "Doxycyclin", "Doxivetin", "Doxitard", "Doxycycline hyclate", "Liviatin", "Azudoxat", "Spanor", "Ronaxan", "Doxycen", "6alpha-Deoxy-5-oxytetracycline", "Doxy-Puren", "Doxy-Tabs", "alpha-Doxycycline", "alpha-6-Deoxyoxytetracycline", "Vibramycine", "5-Hydroxy-alpha-6-deoxytetracycline", "Supracyclin", "Jenacyclin", "6-alpha-Deoxy-5-oxytetracycline"

Source: Doxycycline is a broad-spectrum antibiotic.

Identifiers:

IUPAC Name: (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
CAS Number: 564-25-0
PubChem ID: 54671203
InChiKey: SGKRLCUYIXIAHR-AKNGSSGZSA-N
Canonical SMILES: CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O

Structural Properties:

Molecular Formula: C₂₂H₂₄N₂O₈
Molecular Weight: 444,400

Pharmacophore Features:

Number of bond donors: 6
Number of bond acceptors: 9
Number of atoms different from hydrogen: 32

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Evidence Supporting This Chemical as an Emerging Contaminant

Deblonde, T., Cossu-Leguille, C., & Hartemann, P. (2011). Emerging pollutants in wastewater: a review of the literature. International journal of hygiene and environmental health, 214(6), 442-448.

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2D-structure

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