Dicloxacillin

Synonyms: "dicloxacillin", "Dicloxacycline", "Dicloxacillinum", "Dicloxacilline", "Dicloxacilina", "Dicloxacilin", "Dynapen", "Maclicine", "Diclossacillina", "Dicloxacillin sodium", "Pathocil", " "Methyldichlorophenylisoxazolylpenicillin", "3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylpenicillin"

Source: Dicloxacillin is an antibiotic.

Identifiers:

IUPAC Name: (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-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: 3116-76-5
PubChem ID: 18381
InChiKey: YFAGHNZHGGCZAX-JKIFEVAISA-N
Canonical SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O

Structural Properties:

Molecular Formula: C₁₉H₁₇Cl₂N₃O₅S
Molecular Weight: 470.3

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 7
Number of atoms different from hydrogen: 30

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2D structure (.sdf)
3D structure (.sdf)
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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.

External Links

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2D-structure

3D-structure