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Cloxacillin-[13C4]

General Information
Catalog: BLP-002322
Molecular Formula: C15[13C]4H18ClN3O5S
Molecular Weight: 439.85
Chemical Structure
Cloxacillin-[13C4]
Description Cloxacillin-[13C4], is the labelled analogue of Cloxacillin. Cloxacillin is a semisynthetic beta-lactamase resistant penicillin antibiotic with antibacterial activity.
Synonyms Cloxacillin 13C4
IUPAC Name (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-(1-13C)methyl-(3,4,5-13C3)1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CAS 61-72-3 (unlabelled)
Canonical SMILES CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
InChI InChI=1S/C19H18ClN3O5S/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)/t13-,14+,17-/m1/s1/i1+1,8+1,11+1,12+1
InChI Key LQOLIRLGBULYKD-MCSUZIRFSA-N

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