spectinomycin

Synonyms: "Spectinomycin", "actinospectacin", "Togamycin", "Trobicin"

Source: Spectinomycin is a broad-spectrum aminocyclitol antibiotic.

Identifiers:

IUPAC Name: (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one
CAS Number: 1695-77-8
PubChem ID: 15541
InChiKey: UNFWWIHTNXNPBV-WXKVUWSESA-N
Canonical SMILES: CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O

Structural Properties:

Molecular Formula: C₁₄H₂₄N₂O₇
Molecular Weight: 332.35

Pharmacophore Features:

Number of bond donors: 5
Number of bond acceptors: 9
Number of atoms different from hydrogen: 23

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Evidence Supporting This Chemical as an Emerging Contaminant

Ikehata, K., Gamal El-Din, M., & Snyder, S. A. (2008). Ozonation and advanced oxidation treatment of emerging organic pollutants in water and wastewater. Ozone: Science and Engineering, 30(1), 21-26.

External Links

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3D-structure