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Ceftibuten-[13C3]

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General Information
Catalog: BLP-002195
Molecular Formula: C12[13C]3H14N4O6S2
Molecular Weight: 413.4

Chemical Structure

Description	Ceftibuten-[13C3], is the labelled analogue of Ceftibuten. Ceftibuten is a third-generation cephalosporin antibiotic. It displayed high activity against Haemophilus influenzae and Branhamella catarrhalis. It is used to treat acute bacterial exacerbations of chronic bronchitis (ABECB), acute bacterial otitis media, pharyngitis, and tonsilitis.
Synonyms	[6R-[6α,7β(Z)]]-7-[[2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-(butenyl-13C3)]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; Ceftibuten-13C3
IUPAC Name	(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-hydroxycarbonyl(3,4-13C2)but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Related CAS	97519-39-6 (unlabelled)
Canonical SMILES	C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O
InChI	InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1/i1+1,2+1,9+1
InChI Key	UNJFKXSSGBWRBZ-DBCHFAKXSA-N
Purity	> 98%