Nicosulfuron - Moligand™, ≥95% , CAS No.111991-09-4

CAS: 111991-09-4 Cat. No.: N118531 Fórmula: C₁₅H₁₈N₆O₆S Peso molecular: 410.41 Número CE: 601-148-4

GRAU & PUREZA Moligand™, ≥95%

Synonyms

2-(N-((4,6-Dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-N,N-dimethylnicotinamide|2-[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-N,N-dimethyl-3-pyridinecarboxamide|Milagro|Grenoble Green|Nicosulfuron|Nicosulfuron; 2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-pyridine-3-carboxamide|2-(((((4,6-DIMETHOXY-2-PYRIMIDINYL)AMINO)CARBONYL)AMINO)SULFONYL)-N,N-DIMETHYL-3-PYRIDINECARBOXAMIDE|DPX-V9360|2-((4,6-DIMETHOXYPYRIMIDIN-2-YLCARBAMOYL)SULFAMOYL)-N,N-DIMETHYLNICOTINAMIDE|6-MS|2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine|Accent (pesticide)|2-{[(4,6-Dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-N,N-dimethylnicotinamide|2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-N,N-dimethylnicotinamide|3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)--N,N-dimethyl-|3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-|Nicosulphuron|MU-495|Accent (herbicide)|2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-N,N-dimethylpyridine-3-carboxamide|HU 195|SL 950|SL-950|1,2,3-benzenetricarboxylate|Motivell|Nicosulfuron [ISO]|NOSTOC|2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide|CI Basic Red 9|NICOSULFURON [MI]|Chlorotrianizen|DPX-V 9360|2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-pyridine-3-carboxamide|DPX-V9636

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Especificações

Sinónimos

2-(N-((4,6-Dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-N,N-dimethylnicotinamide | 2-[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-N,N-dimethyl-3-pyridinecarboxamide | Milagro | Grenoble Green | Nicosulfuron | Nicosulfuron; 2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-pyridine-3-carboxamide | 2-(((((4 Show more

Especificações e pureza

Moligand™, ≥95%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

Normal

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504754698

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754698

Sorrisos canónicos

CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

IUPAC Name

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

InChIKey

RTCOGUMHFFWOJV-UHFFFAOYSA-N

INCHI

1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)

SMILES isoméricas

CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

WGK Alemanha

1

RTECS

US4615000

Número UN

3077

Grupo de embalagem

III

Peso molecular

410.41

Reaxy-Rn

7233432

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7233432&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinesulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinesulfonamides
• Alternative Parents: Nicotinamides Sulfonylureas Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Tertiary carboxylic acid amides Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine-2-sulfonamide - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Sulfonylurea - Pyrimidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Carboximidic acid derivative - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
• External Descriptors: Sulfonylurea herbicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: 400mg/kg water (pH buffered, final pH 5.01), 120g/kg (pH7 buffered, final pH 6.85), 39.2g/kg (pH9 buffered, final pH 8.8), solubility in organic solvents (g/kg): acetone 18, acetonitrile 23, chloroform and dimethylformamide 64, dichloromethane 160, ethano
• Sensibilidade: air sensitive; light sensitive
• Ponto de fusão (°C): 142°C
• Peso molecular: 410.400 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 410.101 Da
• Monoisotopic Mass: 410.101 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 642.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1