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Chemical structure of Topramezone

GC75294

Topramezone

Also known as 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one

Topramezone is a potent 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) inhibitor

ChemicalCAS210631-68-8MW363.39FormulaC16H17N3O5S
CAS number
210631-68-8
Molecular weight
363.39
Formula
C16H17N3O5S
Solubility
DMSO： 116·67 mg/mL (321·06 mM; Need ultrasonic); H2O： ＜ 0·1 mg/mL (insoluble)
InChIKey
BPPVUXSMLBXYGG-UHFFFAOYSA-N
Catalogue number
GC75294
Brand
GLPBIO
Computed properties PubChem CID 11302979 · XLogP 0.9 · TPSA 114 Ų · H-bond donors 1
XLogP
0.9
TPSA
114 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25

SMILES CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

Computed descriptors from PubChem (CID 11302979), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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