Ketcher 10052016382D 1   1.00000     0.00000     0

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 26 28  1  0     0  0
 26 29  1  0     0  0
M  END
> <ID>
CHEBI:141068

> <NAME>
orthosulfamuron

> <DEFINITION>
An N-sulfonylurea and sulfuric amide resulting from the formal condensation of sulfuric acid with the primary amino group of 1-(4,6-dimethoxypyrimidin-2-yl)urea and with the primary amino group of 2-amino-N,N-dimethylbenzamide (1 mol eq. of each). An acetolactate synthase inhibitor, it is used as a pre- and post-emergent herbicide for the treatment of grasses and broad-leaved weeds in rice crops.

> <STAR>
3

> <SYNONYM>
IR 5878; 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]amino]-N,NN-dimethylbenzamide; 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea

> <IUPAC_NAME>
2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}amino)-N,N-dimethylbenzamide

> <BRAND_NAME>
Strada; Percutio; Kelion

> <FORMULA>
C16H20N6O6S

> <MASS>
424.430

> <MONOISOTOPIC_MASS>
424.11650

> <CHARGE>
0

> <SMILES>
COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)NC2=CC=CC=C2C(=O)N(C)C)=N1

> <INCHI>
InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)

> <INCHIKEY>
UCDPMNSCCRBWIC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
213464-77-8

> <CHEMIDPLUS>
213464-77-8

> <PESTICIDES_ACCESSION>
orthosulfamuron

> <PUBMED_CITATION>
19191488; 26257949; 29421026

$$$$