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Home Carbonyls Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester

Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester

CAS No.:
126801-58-9
Catalog Number:
AG000T9A
Molecular Formula:
C15H18N4O7S
Molecular Weight:
398.3910
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Product Description
Catalog Number:
AG000T9A
Chemical Name:
Sulfamic acid, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-, 2-ethoxyphenyl ester
CAS Number:
126801-58-9
Molecular Formula:
C15H18N4O7S
Molecular Weight:
398.3910
MDL Number:
MFCD01863143
IUPAC Name:
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate
InChI:
InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChI Key:
UWVKRNOCDUPIDM-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC
EC Number:
603-166-8
UNII:
2A9C8090ZD
Properties
Complexity:
559  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.09g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
398.39g/mol
Monoisotopic Mass:
398.09g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Sulfonylureas have antifungal activity and are potent inhibitors of Candida albicans acetohydroxyacid synthase. Journal of medicinal chemistry 20130110
Effect of growth stage on the efficacy of postemergence herbicides on four weed species of direct-seeded rice. TheScientificWorldJournal 20120101
Rapid determination of sixteen sulfonylurea herbicides in surface water by solid phase extraction cleanup and ultra-high-pressure liquid chromatography coupled with tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20111115
Development of a method for the simultaneous determination of six sulfonylurea herbicides in wheat, rice, and corn by liquid chromatography-tandem mass spectrometry. Journal of agricultural and food chemistry 20110928
4,6-Dimeth-oxy-2-(methyl-sulfon-yl)pyrimidine. Acta crystallographica. Section E, Structure reports online 20100801
Methyl 2,6-bis-[(5-chloro-4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]benzoate. Acta crystallographica. Section E, Structure reports online 20100701
Methyl 2,6-bis-[(5-bromo-4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]benzoate. Acta crystallographica. Section E, Structure reports online 20100701
Acute intentional self-poisoning with a herbicide product containing fenoxaprop-P-ethyl, ethoxysulfuron, and isoxadifen ethyl: a prospective observational study. Clinical toxicology (Philadelphia, Pa.) 20090901
Resistance mechanism to bensulfuron-methyl in biotypes of Scirpus mucronatus L. collected in Chilean rice fields. Journal of agricultural and food chemistry 20090527
Evaluation of resistance in Cyperus difformis populations to ALS inhibiting herbicides. Communications in agricultural and applied biological sciences 20040101
Sulfonylurea herbicide-resistant Monochoria vaginalis in Korean rice culture. Pest management science 20030901
Determination of ten sulfonyl urea herbicides in unpolished rice by solid-phase extraction cleanup and LC-diode array detection. Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20020401
Properties