Oxacillin

Synonyms: "oxacillin", "Oxazocillin", "MPI-penicillin", "Oxacillinum", "Oxazocilline", "Oxacilline", "Oxacilina", "Ossacillina", "Prostaphlyn", "Prostaphlin", "Sodium oxacillin", "MPi-PC", "5-Methyl-3-phenyl-4-isoxazolyl-penicillin"

Source: Oxacillin is an antibiotic.

Identifiers:

IUPAC Name: (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Number: 66-79-5
PubChem ID: 6196
InChiKey: UWYHMGVUTGAWSP-JKIFEVAISA-N
Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O

Structural Properties:

Molecular Formula: C₁₉H₁₉N₃O₅S
Molecular Weight: 401.4

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 7
Number of atoms different from hydrogen: 28

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Evidence Supporting This Chemical as an Emerging Contaminant

Richardson, B. J., Lam, P. K., & Martin, M. (2005). Emerging chemicals of concern: pharmaceuticals and personal care products (PPCPs) in Asia, with particular reference to Southern China. Marine Pollution Bulletin, 50(9), 913-920.

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2D-structure

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