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Chemical structure of Avibactam sodium hydrate

GC35438

Avibactam sodium hydrate

Also known as sodium;[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;hydrate

Avibactam sodium (NXL-104) hydrate is a covalent and reversible non-β-lactam β-lactamase inhibitor which inhibits β-lactamase TEM-1 and CTX-M-15 with IC50s of 8 nM and 5 nM, respectively

ChemicalCAS2938989-90-1MW305.24FormulaC7H12N3NaO7S
CAS number
2938989-90-1
Molecular weight
305.24
Formula
C7H12N3NaO7S
Solubility
Water: ≥ 200 mg/mL (655·22 mM)
InChIKey
QTECZIOYYRSGNA-CIFXRNLBSA-M
Catalogue number
GC35438
Brand
GLPBIO
Computed properties PubChem CID 118704750 · TPSA 142 Ų · H-bond donors 2 · H-bond acceptors 7
TPSA
142 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
19

SMILES C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N.O.[Na+]

Computed descriptors from PubChem (CID 118704750), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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