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Flucloxacillin-[13C4] Ammonium Salt

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General Information
Catalog: BLP-005476
Molecular Formula: C15[13C]4H20ClFN4O5S
Molecular Weight: 474.87

Chemical Structure

Description	Flucloxacillin-[13C4] Ammonium Salt, is the labelled analogue of Flucloxacillin, which is a narrow-spectrum beta-lactam antibiotic of the penicillin class.
Synonyms	Flucloxacillin 13C4 Ammonium Salt
IUPAC Name	azane;(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-(1-13C)methyl-(4,5-13C2)1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CAS	1187823-14-8 (unlabelled)
Canonical SMILES	CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.N
InChI	InChI=1S/C19H17ClFN3O5S.H3N/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);1H3/t13-,14+,17-;/m1./s1/i1+1,7+1,10+1,15+1;
InChI Key	JFVIEWTUUJSVTL-NIMQWXAJSA-N
Purity	>98%
Solubility	Soluble in DMSO, Methanol, Water
Appearance	White to Off-white Solid
Storage	Store at -20°C