Molecular Identity
cloxacillin
(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
PubChem CID: 6098
Cloxacillin is a semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6. It has a role as an antibacterial agent and an antibacterial drug. It is a penicillin, a semisynthetic derivative and a penicillin allergen. It is functionally related to an oxacillin. It is a conjugate acid of a cloxacillin(1-).
2D Structure
Properties
C19H18ClN3O5S
Molecular Formula
435.90
Molecular Weight
g/mol
435.0656
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
138
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
722
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
cloxacillin61-72-3CloxacillineCloxacillinumCloxacilinaMethocillin SSyntarpenClossacillinaChloroxacillinO6X5QGC2VB(3-(o-Chlorophenyl)-5-methyl-4-isoxazolyl)penicillinCHEBI:495666-(3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid(2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid6-(((3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to cloxacillin
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