Oxacillin sodium monohydrate EP Impurity E, Cloxacillin

cas: 61-72-3 — see every product listed under this CAS number, including other names

Oxacillin sodium monohydrate EP Impurity E, Cloxacillin (CAS 61-72-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-O240105
cas61-72-3
sizeon request
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Structural formula: {0} (CAS {1})

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-).

Source: ChEBI

Identity
Molecular formulaC19H18ClN3O5S
Molecular weight435.9 g/mol
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
InChIKeyLQOLIRLGBULYKD-JKIFEVAISA-N
SMILESCC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: cloxacillin, Cloxacilline, Cloxacillinum, Cloxacilina, Methocillin S, Syntarpen, Clossacillina, Chloroxacillin, (3-(o-Chlorophenyl)-5-methyl-4-isoxazolyl)penicillin, 6-(3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid
Isomers (same molecular formula)
5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoic acid C19H18ClN3O5S
5-chloro-N-[4-(3-oxomorpholin-4-yl)phenyl]-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]thiophene-2-carboxamide C19H18ClN3O5S
(2S,5R,6R)-6-[[3-(4-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 C19H18ClN3O5S
(2S,5R,6R)-6-[[3-(3-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 C19H18ClN3O5S
5-chloro-N-[4-(3-oxomorpholin-4-yl)phenyl]-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
3-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
4-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
5-chloro-N-[[(5S)-2-oxo-3-[2,3,5,6-tetradeuterio-4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S

Also listed as

Oxacillin Impurity 5 (Oxacillin EP Impurity E) Hubei YoungXin CAS 61-72-3
Cloxacillin 1000 µg/mL in Acetonitrile Dr. Ehrenstorfer CAS 61-72-3
Cloxacillin TargetMol CAS 61-72-3