Imidacloprid-urea - ≥98% , CAS No.120868-66-8

CAS: 120868-66-8 Cat. No.: I413104 Peso molecular: 211.65

GRADE & PURITY ≥98%

Synonyms

1-[(6-chloro-3-pyridinyl) methyl]-2-imidazolidinone | imidacloprid-urea | Q27156939 | ADWTYURAFSWNSU-UHFFFAOYSA- | HY-131964 | starbld0014933 | 2-Imidazolidinone, 1-[(6-chloro-3-pyridinyl)methyl]- | 1-[(6-Chloro-3-pyridinyl)methyl]-2-imidazolidinone | 2-I

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Imidacloprid-urea with a role as a marine xenobiotic metabolite, is the primary imidacloprid soil metabolite, whereas imidacloprid-olefin is the main plant-relevant metabolite and is more toxic to insects than imidacloprid.

Specifications

Sinónimos

1-[(6-chloro-3-pyridinyl) methyl]-2-imidazolidinone | imidacloprid-urea | Q27156939 | ADWTYURAFSWNSU-UHFFFAOYSA- | HY-131964 | starbld0014933 | 2-Imidazolidinone, 1-[(6-chloro-3-pyridinyl)methyl]- | 1-[(6-Chloro-3-pyridinyl)methyl]-2-imidazolidinone | 2-I

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Imidacloprid-urea with a role as a marine xenobiotic metabolite, is the primary imidacloprid soil metabolite, whereas imidacloprid-olefin is the main plant-relevant metabolite and is more toxic to insects than imidacloprid.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CN(C(=O)N1)CC2=CN=C(C=C2)Cl
• IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-one
• InChIKey: ADWTYURAFSWNSU-UHFFFAOYSA-N
• INCHI: 1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14)
• Isómeros SMILES: C1CN(C(=O)N1)CC2=CN=C(C=C2)Cl
• Peso molecular: 211.65
• Reaxy-Rn: 5431580
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5431580&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Imidazolidinones Aryl chlorides Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl chloride - Aryl halide - Imidazolidinone - Imidazolidine - Heteroaromatic compound - Carbonic acid derivative - Urea - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• External Descriptors: ureas - imidazolidinone - monochloropyridine

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 (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)

Discover Target: CHRNB2

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 211.650 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.051 Da
• Monoisotopic Mass: 211.051 Da
• Topological Polar Surface Area: 45.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• 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

Referencias

1. Dong Li, Chunran Zhou, Shuai Wang, Zhan Hu, Jia Xie, Canping Pan, Ranfeng Sun.  (2023)  Imidacloprid-induced stress affects the growth of pepper plants by disrupting rhizosphere-plant microbial and metabolite composition.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:37437628] [10.1016/j.scitotenv.2023.165395]