Molecular Identity
Flucloxacillin
(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-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: 21319
Flucloxacillin is a penicillin compound having a 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido] side-chain. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a flucloxacillin(1-).
2D Structure
Properties
C19H17ClFN3O5S
Molecular Formula
453.90
Molecular Weight
g/mol
453.0561
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
138
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
758
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)OIsomeric SMILES
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)OSynonyms(20)
FlucloxacillinFLOXACILLIN5250-39-5flucloxacilinaFlucloxacillineFlucloxacillinumBRL 20393-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolylpenicillinBRL-2039(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidCHEBI:5098DTXSID802305643B2M34G2V(2S,5R,6R)-6-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidFluorochloroxacillin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Flucloxacillin
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