Spirotetramat - analytical standard , CAS No.203313-25-1

CAS: 203313-25-1 Cat. No.: S135578 Fórmula: C₂₁H₂₇NO₅ Peso molecular: 373.44 Número EC: 606-523-6 PubChem CID: 9969573

GRADE & PURITY Analytical standard

Synonyms

AKOS016007693 | Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester | UNII-4G7KR034OX | SPIROTETRAMAT [MI] | DEHYDROEQUOL [MI] | Q2685527 | Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Spirotetramat is a systemic insecticide which belongs to the class of ketoenols primarily used for the control of a wide spectrum of sucking insects. Its mode of action involves the inhibition of acetyl-CoA carboxylase enzyme activity.

Specifications

Sinónimos

AKOS016007693 | Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester | UNII-4G7KR034OX | SPIROTETRAMAT [MI] | DEHYDROEQUOL [MI] | Q2685527 | Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Grado

Patrón analítico

Nombres e identificadores

• Pubchem Sid: 504765170
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765170
• Sonrisas canónicas: CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C
• IUPAC Name: [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
• InChIKey: CLSVJBIHYWPGQY-UHFFFAOYSA-N
• INCHI: 1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)
• Isómeros SMILES: CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C
• WGK Alemania: 3
• PubChem CID: 9969573
• Peso molecular: 373.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Carbonic acid diesters Enol esters Cyclic carboximidic acids Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: P-xylene - Carbonic acid diester - Enol ester - Cyclic carboximidic acid - Carbonic acid derivative - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
• External Descriptors: Not available

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

Objetivos asociados (no humanos)

Myzus persicae (1112 Activities)

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

Bemisia tabaci (599 Activities)

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Panonychus ulmi (60 Activities)

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Aphis fabae (223 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 373.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 373.189 Da
• Monoisotopic Mass: 373.189 Da
• Topological Polar Surface Area: 73.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 606.000
• 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

Preguntas frecuentes

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 203313-25-1, the molecular formula is C21H27NO5, and the molecular weight is 373.44 g/mol. InChIKey CLSVJBIHYWPGQY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.