sultamicillin
Synonyms: "Sultamicillin", "sultamicilina", "sultamicillinum", "Sultamicillin tosilate", "({6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carbonyl}oxy)methyl 2,2-dimethylpenam-3alpha-carboxylate 1,1-dioxide", "[(2,2-dimethyl-1,1-dioxidopenam-3alpha-carbonyl)oxy]methyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate"
Source: Sultamicillin is a mutual prodrug of ampicillin and sulbactam, which act as antiobiotics.
Identifiers:
IUPAC Name: [(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Number: 76497-13-7
PubChem ID: 444022
InChiKey: OPYGFNJSCUDTBT-PMLPCWDUSA-N
Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C4C(S(=O)(=O)C5N4C(=O)C5)(C)C)C
Structural Properties:
Molecular Formula: C25H30N4O9S2
Molecular Weight: 594.7
Pharmacophore Features:
Number of bond donors: 2
Number of bond acceptors: 11
Number of atoms different from hydrogen: 40
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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.