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Reference substances

Reference substances

IUPAC name:
sodium 6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate

Inventory

EC number:
211-390-9
EC name:
Cloxacillin sodium
CAS number:
642-78-4
CAS number:
642-78-4
Synonyms
Names:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5- methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl -7-oxo-, monosodium salt, (2S,5R,6R)-
cloxacillin_sodium

Molecular and structural information

Molecular formula:
C19H18ClN3O5S.Na
Molecular weight:
475.878
SMILES notation:
O.[Na+].Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)[O-]
InChl:
InChI=1/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1
Structural formula:
Chemical structure

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