Epitetracycline

Synonyms: 4-Epitetracycline, "Epitetracycline", "Quatrimycin", "epi-Tetracycline", "4-epi-Tetracycline", "(4r,4as,5as,6s,12as)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2h,4h,5h)-trione"

Source: Epitetracycline is a degradation product of tetracycline.

Identifiers:

IUPAC Name: (4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
CAS Number: 79-85-6
PubChem ID: 54682506
InChiKey: NWXMGUDVXFXRIG-PMXORCKASA-N
Canonical SMILES: CC1(C2CC3C(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

Estrada-Arriaga, E. B., Cort?s-Mu?oz, J. E., Gonz?lez-Herrera, A., Calder?n-M?lgora, C. G., de Lourdes Rivera-Huerta, M., Ram?rez-Camperos, E., ... & Mart?n-Dom?nguez, A. (2016). Assessment of full-scale biological nutrient removal systems upgraded with physico-chemical processes for the removal of emerging pollutants present in wastewaters from Mexico. Science of the Total Environment, 571, 1172-1182.

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