Azimsulfuron - analytical standard , CAS No.120162-55-2

CAS: 120162-55-2 Cat. No.: A114833 분자식: C₁₃H₁₆N₁₀O₅S 분자량: 424.4 Beilstein Registry Number: 8284859 EC 번호: 601-676-5

등급 & 순도 Analytical standard

Synonyms

Green chromium oxide|N-((4-dimethoxypyrimidin-2-yl)aminocarbonyl)1-methyl-4-(2-methyl-2H-tetrazole-5-yl)1H-pyrazole-5-sulfonamid|1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea|Azimsulfuron|Gulliver|N-{[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl}-1-methyl-4-(2-methyl-H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide|1-(4,6-Dimethoxy-2-pyrimidinyl)-3-[[1-methyl-4-(2-methyl-2H-tetrazol-5-yl)pyrazol-5-yl]sulfonyl]urea|DPX-A8947|N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide|Sodium benzene monosulfonate|1H-Pyrazole-5-sulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-|N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide|N-[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide, 9CI|DPX 47|1H-Pyrazole-5-sulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-|Kristallose|Azimsulfuron [ISO]|AZIMSULFURON [MI]|N-(((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide|N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide|1-(4,6-DIMETHOXYPYRIMIDIN-2-YL)-3-(1-METHYL-4-(2-METHYL-2H-TETRAZOL-5-YL)PYRAZOL-5-YLSULFONYL)UREA|caramiphen edisilate|Otaylite|Paracaine|3-(4,6-dimethoxypyrimidin-2-yl)-1-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea|N-((4,6-dimethoxy-2-pyrimidinyl)carbamoyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide|1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2H-tetrazol-5-yl)pyrazol-5-ylsulfonyl]urea|DPX-A 8947|1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-1H-pyrazole-5-sulfonyl]urea|IN-A 894

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

사양

동의어

Green chromium oxide | N-((4-dimethoxypyrimidin-2-yl)aminocarbonyl)1-methyl-4-(2-methyl-2H-tetrazole-5-yl)1H-pyrazole-5-sulfonamid | 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea | Azimsulfuron | Gulliver | N-{[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl}-1-methyl-4-(2-methyl-H-tetrazol-5-y Show more

사양 및 순도

analytical standard

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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등급

분석 표준물질

이름과 식별자

Pubchem Sid

528771041

정식 스마일

CN1C(=C(C=N1)C2=NN(N=N2)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

IUPAC Name

1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea

InChIKey

MAHPNPYYQAIOJN-UHFFFAOYSA-N

INCHI

1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)

이성체 SMILES

CN1C(=C(C=N1)C2=NN(N=N2)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

분자량

424.4

Beilstein

8284859

Reaxy-Rn

8284859

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8284859&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Sulfonylureas

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Sulfonylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidinyl-2-sulfonylureas
• Alternative Parents: Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Tetrazoles Pyrazoles Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinyl-2-sulfonylurea - Alkyl aryl ether - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Tetrazole - Sulfonyl - Carbonic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrimidinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a pyrimidine ring which is substituted with a sulfonylurea at the ring 2-position.
• 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

화학 및 물리적 특성

• 감도: Light Sensitive
• 녹는점(°C): 170°C
• 분자량: 424.400 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 424.103 Da
• Monoisotopic Mass: 424.103 Da
• Topological Polar Surface Area: 189.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 665.000
• 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