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Aztreonam-[d6]

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General Information
Catalog: BLP-011803
CAS: 1127452-94-1
Molecular Formula: C13H11D6N5O8S2
Molecular Weight: 441.47

Chemical Structure

Description	Aztreonam-[d6] is the labelled analogue of Aztreonam, which is the first totally synthetic monocyclic β-lactam antibiotic used for the treatment of infections caused by gram-negative bacteria.
Synonyms	Aztreonam D6; [2S-[2α,3β(Z)]]-2-[[(Z)-[1-(2-Amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy]-2-methylpropanoic-d6 Acid; Azthreonam-d6; Aztreon-d6; Monobactam-d6; Nebactam-d6; SQ 26776-d6; Squibb 26776-d6
IUPAC Name	2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
Related CAS	78110-38-0 (unlabelled)
Canonical SMILES	CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N
InChI	InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1/i2D3,3D3
InChI Key	WZPBZJONDBGPKJ-XFXAWXATSA-N
Melting Point	>210°C (dec.)
Purity	≥95%; ≥98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white to Beige Solid
Storage	Store at -20°C under inert atmosphere