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Chemical structure of N4-Acetylsulfamethoxazole-d4

GC72542

N4-Acetylsulfamethoxazole-d4

Also known as N-[2,3,5,6-tetradeuterio-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

N4-Acetylsulfamethoxazole-d4 is the deuterium labeled N4-Acetylsulfamethoxazole

ChemicalCAS1215530-54-3MW299.34FormulaC12H9D4N3O4S
CAS number
1215530-54-3
Molecular weight
299.34
Formula
C12H9D4N3O4S
InChIKey
GXPIUNZCALHVBA-LNFUJOGGSA-N
Catalogue number
GC72542
Brand
GLPBIO
Computed properties PubChem CID 46780053 · XLogP 0.7 · TPSA 110 Ų · H-bond donors 2
XLogP
0.7
TPSA
110 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
20

SMILES [2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])S(=O)(=O)NC2=NOC(=C2)C)[2H]

Computed descriptors from PubChem (CID 46780053), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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