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Chemical structure of Sulfamethoxazole-NO

GC74708

Sulfamethoxazole-NO

Also known as N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzenesulfonamide

Sulfamethoxazole-NO (SMX-NO) is the major immunogen in sulfonamide allergy, producing modest ascorbic acid depletion and hemoglobin adduct formation

ChemicalCAS29699-89-6MW283.26FormulaC10H9N3O5S
CAS number
29699-89-6
Molecular weight
283.26
Formula
C10H9N3O5S
Solubility
DMSO : ≥ 100 mg/mL (353·03 mM)
InChIKey
XHJLDAHBWWMCRZ-UHFFFAOYSA-N
Catalogue number
GC74708
Brand
GLPBIO
Computed properties PubChem CID 717516 · XLogP 1.4 · TPSA 126 Ų · H-bond donors 1
XLogP
1.4
TPSA
126 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
19

SMILES CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Computed descriptors from PubChem (CID 717516), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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