Molecular Identity
Dicloxacillin
(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
PubChem CID: 18381
Dicloxacillin is a penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group. It has a role as an antibacterial drug. It is a penicillin and a dichlorobenzene. It is a conjugate acid of a dicloxacillin(1-).
2D Structure
Properties
C19H17Cl2N3O5S
Molecular Formula
470.30
Molecular Weight
g/mol
469.0266
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
138
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
746
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)OIsomeric SMILES
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)OSynonyms(20)
dicloxacillin3116-76-5DicloxacyclineDicloxacilinaDicloxacilinDicloxacillineDicloxacillinumMaclicineBRL-1702R-13423MethyldichlorophenylisoxazolylpenicillinCOF19H7WBKCHEBI:4511(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 acid3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylpenicillin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dicloxacillin
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