Bensulfuron-methyl solution - analytical standard, 100μg/ml in acetone,u=3% , CAS No.83055-99-6

CAS: 83055-99-6 Cat. No.: B109904 分子式: C₁₆H₁₈N₄O₇S 分子量: 410.4 Beilstein Registry Number: 7447488 EC番号: 401-340-6

グレード＆純度 Analytical standard, 100μg/ml in acetone,u=3%

Synonyms

Londax|Methyl bensulfuron|Bianmihuanglong|methyl 2-((N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)methyl)benzoate|2-[[[[[(4,6-DIMETHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]METHYL]BENZOIC ACID METHYL ESTER|methyl 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoate|methyl 2-((N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)methyl)benzoate|2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoylmethyl]benzoic acid methyl ester|BENSULFURON-METHYL [MI]|METHYL .ALPHA.-((4,6-DIMETHOXYPYRIMIDIN-2-YLCARBAMOYL)SULFAMOYL)-O-TOLUATE|DPX 84|Methyl alpha-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-o-toluate|BENSULFURON-METHYL|methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoa te|Methyl 2-({[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoate|Bianmihuanglong; DPX 84; DPX-F 5384; F 5384; Londax; Mariner|Bensulfuron methyl ester|Benzoic acid, 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]-, methyl ester|methyl alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluate|Methyl alpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl)-o-toluate|Methyl 2-{[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonylmethyl}benzoate|methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate|methyl 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoate|Mariner|DPX-F 5384|Bensulfuron methyl|methyl 2-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonylaminosulfonylmethyl]benzoate|methyl 2-{[({[(4,6-dimethoxypyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]methyl}benzoate|methyl2-((N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)methyl)benzoate

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

仕様

同義語

Londax | Methyl bensulfuron | Bianmihuanglong | methyl 2-((N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)methyl)benzoate | 2-[[[[[(4,6-DIMETHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]METHYL]BENZOIC ACID METHYL ESTER | methyl 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoate | methyl 2-((N-((4,6-dimethoxypyrim もっと見る

仕様と純度

analytical standard, 100μg/ml in acetone,u=3%

保管条件

Protected from light,Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

名前と識別子

カノニカル・スマイル

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC

IUPAC Name

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate

InChIKey

XMQFTWRPUQYINF-UHFFFAOYSA-N

INCHI

1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)

異性体SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC

WGKドイツ

2

RTECS

DG8733000

分子量

410.4

Beilstein

7447488

Reaxy-Rn

7447488

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7447488&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Sulfonylureas Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Organosulfonic acids and derivatives Methyl esters Heteroaromatic compounds Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Alkyl aryl ether - Sulfonylurea - Pyrimidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Methyl ester - Aminosulfonyl compound - Carboxylic acid ester - Carboximidic acid derivative - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

関連ターゲット（非人間）

ALS Acetolactate synthase (354 Activities)

Discover Target: ALS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Saccharomyces cerevisiae (19171 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.
• 融点（°C）: 185-188°C
• 分子量: 410.400 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 410.09 Da
• Monoisotopic Mass: 410.09 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 627.000
• 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