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

CAS: 203313-25-1 Cat. No.: S135578 Formula: C₂₁H₂₇NO₅ Peso molecolare: 373.44 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 504765170
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765170
• Sorrisi canonici: 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)
• Isomeri SMILES: CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C
• WGK Germania: 3
• PubChem CID: 9969573
• Peso molecolare: 373.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

Myzus persicae (1112 Activities)

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Bemisia tabaci (599 Activities)

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Panonychus ulmi (60 Activities)

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Aphis fabae (223 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 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

Riferimenti

1. Fang Jiao, Hua Rong, Yang Zhao, Panfeng Wu, Yaohui Long, Jie Xu, Tao Zhao, Lingxi Han, Jun Wang, Huirong Yang.  (2023)  Insights into spirotetramat-induced thyroid disruption during zebrafish (Danio rerio) larval development: An integrated approach with in vivo, in vitro, and in silico analyses.  ENVIRONMENTAL POLLUTION,      [PMID:38154778] [10.1016/j.envpol.2023.123242]

2. Yiran Liang, Wenxia Wu, Xiaojun Cheng, Jiye Hu.  (2020)  Residues, fate and risk assessment of spirotetramat and its four metabolites in pineapple under field conditions.  INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY,      [PMID:] [10.1080/03067319.2019.1645839]

3. Wenfeng Wang, Qun Wan, Yixin Li, Wenjun Xu, Xiangyang Yu.  (2019)  Uptake, translocation and subcellular distribution of pesticides in Chinese cabbage (Brassica rapa var. chinensis).  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:31376804] [10.1016/j.ecoenv.2019.109488]

4. Xunyue Liu, Haojie Zhu, Peng Liu, Junyao Ge, Qiong Rao, Wenze He, Jianqiang Sun.  (2024)  Liver damage and lipid metabolic dysregulation in adult zebrafish (Danio rerio) induced by spirotetramat.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:39147054] [10.1016/j.scitotenv.2024.175525]

5. Xunyue Liu, Junyao Ge, Haojie Zhu, Peng Liu, Huidi Zhang, Qiong Rao, Wenze He, Jianqiang Sun.  (2025)  Intestinal toxicity and microbiota dysbiosis in zebrafish exposed to spirotetramat.  AQUATIC TOXICOLOGY,      [PMID:41456524] [10.1016/j.aquatox.2025.107693]

6. Yeru Liu, Mengxue Zhang, Xiaolei Zhao, Yifan Zhou, Hongna Yin, Li Zhou, Zhicheng Liu, Qiyong Cai.  (2026)  In situ biosynthetic-driven fluorescence sensor combined with a smartphone platform for portable detection of glyphosate.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2026.117118]

7. Xue Gong, Zhinan Lin, Yanjiao Zhou, Dingfeng Duan, Qian Han, Chenghong Liao.  (2026)  Multi-omics analysis reveals AaaaNAT1 as a critical regulator of physiological homeostasis in Aedes aegypti.  JOURNAL OF INSECT PHYSIOLOGY,      [PMID:41722763] [10.1016/j.jinsphys.2026.104956]

8. Xunyue Liu, Peng Liu, Haojie Zhu, Junyao Ge, Qiong Rao, Jianqiang Sun.  (2026)  Neurotoxic effects of spirotetramat in zebrafish (Danio rerio): Brain injury, locomotor abnormalities, and altered visual-related pathways.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:42526241] [10.1016/j.jhazmat.2026.143122]

9. He Feng, Xu Xinxin, Liu Liqiang, Wu Aihong, Qu Aihua, Xu Chuanlai, Kuang Hua.  (2026)  Computationally Guided Hapten Design Enables a Multicolor Immunochromatographic Assay for the Simultaneous Detection of Three Spirocyclic Tetronic/Tetramic Acid Derivative Insecticides in Environment and Agricultural Samples.  ANALYTICAL CHEMISTRY,  98  (31): (23266-23279).  [PMID:42578858] [10.1021/acs.analchem.6c03319]

Domande frequenti

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.