Cloxacillin

Synonyms: "cloxacillin", "Cloxacillinum", "Cloxacilina", "Cloxacilline", "Syntarpen", "Cloxacillin sodium", "Methocillin S", "Clossacillina", "Tegopen", "BRL 1621", "Methylchlorphenylisoxazoryl-penicillin", "(3-(o-Chlorophenyl)-5-methyl-4-isoxazolyl)penicillin", "6-(3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid"

Source: Cloxacillin is an antibiotic.

Identifiers:

IUPAC Name: (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Number: 61-72-3
PubChem ID: 6098
InChiKey: LQOLIRLGBULYKD-JKIFEVAISA-N
Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O

Structural Properties:

Molecular Formula: C₁₉H₁₈ClN₃O₅S
Molecular Weight: 435.9

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 7
Number of atoms different from hydrogen: 29

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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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