Identification
NameImidacloprid
Accession NumberDB11421  (DB07980)
TypeSmall Molecule
GroupsVet Approved
Description

Imidacloprid is a neonicotinoid, which is a class of neuro-active insecticides modeled after nicotine. Imidacloprid is a patented chemical, Imidacloprid is manufactured by Bayer Cropscience (part of Bayer AG) and sold under trade names Kohinor, Admire, Advantage, Gaucho, Merit, Confidor, Hachikusan, Premise, Prothor, and Winner. It is marketed as pest control, seed treatment, an insecticide spray, termite control, flea control, and a systemic insecticide.

Structure
Thumb
Synonyms
(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine
1-((6-chloro-3-Pyridinyl)methyl)-N-nitro-2-imidazolidinimine
1-((6-chloro-3-Pyridyl)methyl)-N-nitro-2-imidazolidinimine
IMD
External IDs 138261-41-3 / BAY NTN 33893
Product Ingredients Not Available
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII3BN7M937V8
CAS number105827-78-9
WeightAverage: 255.66
Monoisotopic: 255.0523023
Chemical FormulaC9H10ClN5O2
InChI KeyYWTYJOPNNQFBPC-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
IUPAC Name
2-chloro-5-{[2-(nitroamino)-4,5-dihydro-1H-imidazol-1-yl]methyl}pyridine
SMILES
[O-][N+](=O)\N=C1/NCCN1CC1=CC=C(Cl)N=C1
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of action
TargetKindPharmacological actionActionsOrganismUniProt ID
CHRNA7-FAM7A fusion proteinProteinunknownNot AvailableHumanQ494W8 details
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions Not Available
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General References
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  3. Yan ZG, Hou DB, Cao BH, Zhang GX, Zhou ZK: [Terahertz spectroscopic investigation of imidacloprid]. Guang Pu Xue Yu Guang Pu Fen Xi. 2008 Aug;28(8):1718-21. [PubMed:18975787 ]
  4. Panigrahi AK, Subrahmanyam DK, Mukku KK: Imidacloprid poisoning: a case report. Am J Emerg Med. 2009 Feb;27(2):256.e5-6. doi: 10.1016/j.ajem.2008.06.035. [PubMed:19371559 ]
  5. Shadnia S, Moghaddam HH: Fatal intoxication with imidacloprid insecticide. Am J Emerg Med. 2008 Jun;26(5):634.e1-4. doi: 10.1016/j.ajem.2007.09.024. [PubMed:18534311 ]
  6. Bonmatin JM, Marchand PA, Charvet R, Moineau I, Bengsch ER, Colin ME: Quantification of imidacloprid uptake in maize crops. J Agric Food Chem. 2005 Jun 29;53(13):5336-41. [PubMed:15969515 ]
  7. Kumar R, Dikshit AK: Assessment of imidacloprid in Brassica environment. J Environ Sci Health B. 2001 Sep;36(5):619-29. [PubMed:11599725 ]
  8. Schippers N, Schwack W: Photochemistry of imidacloprid in model systems. J Agric Food Chem. 2008 Sep 10;56(17):8023-9. doi: 10.1021/jf801251u. Epub 2008 Aug 9. [PubMed:18690690 ]
  9. Iyyadurai R, George IA, Peter JV: Imidacloprid poisoning--newer insecticide and fatal toxicity. J Med Toxicol. 2010 Mar;6(1):77-8. doi: 10.1007/s13181-010-0041-6. [PubMed:20232186 ]
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  37. Chin-Chen ML, Esteve-Romero J, Carda-Broch S: Determination of the insecticide imidacloprid in fruit juices using micellar high-performance liquid chromatography. J AOAC Int. 2009 Sep-Oct;92(5):1551-6. [PubMed:19916392 ]
  38. Schippers N, Schwack W: Phototransformation of imidacloprid on isolated tomato fruit cuticles and on tomato fruits. J Photochem Photobiol B. 2010 Jan 21;98(1):57-60. doi: 10.1016/j.jphotobiol.2009.11.004. Epub 2009 Nov 12. [PubMed:19962320 ]
  39. Sahoo SK, Chahil GS, Mandal K, Battu RS, Singh B: Estimation of beta-cyfluthrin and imidacloprid in okra fruits and soil by chromatography techniques. J Environ Sci Health B. 2012;47(1):42-50. doi: 10.1080/03601234.2012.607765. [PubMed:22022787 ]
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  41. Thuyet DQ, Jorgenson BC, Wissel-Tyson C, Watanabe H, Young TM: Wash off of imidacloprid and fipronil from turf and concrete surfaces using simulated rainfall. Sci Total Environ. 2012 Jan 1;414:515-24. doi: 10.1016/j.scitotenv.2011.10.051. Epub 2011 Nov 25. [PubMed:22119037 ]
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  50. Wu J, Wei H, Xue J: Degradation of imidacloprid in chrysanthemi flos and soil. Bull Environ Contam Toxicol. 2012 May;88(5):776-80. doi: 10.1007/s00128-012-0547-5. Epub 2012 Mar 8. [PubMed:22398690 ]
  51. Hoffmann EJ, Castle SJ: Imidacloprid in melon guttation fluid: a potential mode of exposure for pest and beneficial organisms. J Econ Entomol. 2012 Feb;105(1):67-71. [PubMed:22420257 ]
  52. He Y, Zhao J, Zheng Y, Desneux N, Wu K: Lethal effect of imidacloprid on the coccinellid predator Serangium japonicum and sublethal effects on predator voracity and on functional response to the whitefly Bemisia tabaci. Ecotoxicology. 2012 Jul;21(5):1291-300. doi: 10.1007/s10646-012-0883-6. Epub 2012 Mar 24. [PubMed:22447470 ]
  53. Ding X, Zhang W, Cheng D, He J, Yang KL: Oligopeptides functionalized surface plasmon resonance biosensors for detecting thiacloprid and imidacloprid. Biosens Bioelectron. 2012 May 15;35(1):271-6. doi: 10.1016/j.bios.2012.02.060. Epub 2012 Mar 7. [PubMed:22459587 ]
  54. Whitehorn PR, O'Connor S, Wackers FL, Goulson D: Neonicotinoid pesticide reduces bumble bee colony growth and queen production. Science. 2012 Apr 20;336(6079):351-2. doi: 10.1126/science.1215025. Epub 2012 Mar 29. [PubMed:22461500 ]
  55. Zhu YC, Luttrell R: Altered gene regulation and potential association with metabolic resistance development to imidacloprid in the tarnished plant bug, Lygus lineolaris. Pest Manag Sci. 2015 Jan;71(1):40-57. doi: 10.1002/ps.3761. Epub 2014 Mar 20. [PubMed:24515672 ]
  56. Thany SH, Tong F, Bloomquist JR: Pre-treatment of Stegomyia aegypti mosquitoes with a sublethal dose of imidacloprid impairs behavioural avoidance induced by lemon oil and DEET. Med Vet Entomol. 2015 Mar;29(1):99-103. doi: 10.1111/mve.12082. Epub 2014 Aug 25. [PubMed:25155403 ]
  57. Cardone A: Imidacloprid induces morphological and molecular damages on testis of lizard (Podarcis sicula). Ecotoxicology. 2015 Jan;24(1):94-105. doi: 10.1007/s10646-014-1361-0. Epub 2014 Oct 15. [PubMed:25314907 ]
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  68. Krischik V, Rogers M, Gupta G, Varshney A: Soil-applied imidacloprid translocates to ornamental flowers and reduces survival of adult Coleomegilla maculata, Harmonia axyridis, and Hippodamia convergens lady beetles, and larval Danaus plexippus and Vanessa cardui butterflies. PLoS One. 2015 Mar 23;10(3):e0119133. doi: 10.1371/journal.pone.0119133. eCollection 2015. [PubMed:25799432 ]
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External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials Not Available
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
StateNot Available
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.346 mg/mLALOGPS
logP0.65ALOGPS
logP1.1ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)9.39ChemAxon
pKa (Strongest Basic)5.28ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area86.34 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity63.75 m3·mol-1ChemAxon
Polarizability23.17 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , negativesplash10-0udi-0290000000-0812870c582a68d58f9eView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-0udi-0930000000-343db00f5be70f0fe78cView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-0udi-0090000000-719eaaca2c7a38c90d68View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-0udi-0090000000-942ea462298844bafdc2View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-0udi-0090000000-56328a93fd1e38aa2242View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-000i-9000000000-cad2f4a13e5493517e85View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-000i-9000000000-5f6d2d344bf6659eca47View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-0udi-0090000000-68418a137b14a769367cView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-0udi-0090000000-47ad82be374a283a9dbbView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-0udi-0920000000-46ef972fc42dceee7393View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0a4i-0190000000-0cd6e54fe940f97ccb1dView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-056r-0980000000-e48625fbd18b2d626cc6View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-056r-0960000000-89d9de4658faefa962b1View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0a6r-0940000000-16fe6279a6031f08bb67View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , positivesplash10-0aba-0910000000-2859fa22e79d10470b94View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-08fr-0390000000-ab06f369da2af69be924View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0a4i-0190000000-af26c2abec118b42cc59View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-0a6r-1690000000-bdb0da3c5b4d2789acb0View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , positivesplash10-056r-1950000000-5a4755b10a4e754f2069View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
1D NMR1H NMR SpectrumNot Available
1D NMR13C NMR SpectrumNot Available
Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as nitroguanidines. These are organonitrogen compounds containing a nitro group, which is N-linked to a guanidine.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic nitrogen compounds
Sub ClassOrganonitrogen compounds
Direct ParentNitroguanidines
Alternative Parents2-halopyridines / Aryl chlorides / Nitramines / Imidazolines / Heteroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Carboximidamides / Azacyclic compounds / Organopnictogen compounds / Organochlorides
SubstituentsNitroguanidine / 2-halopyridine / Aryl chloride / Aryl halide / Pyridine / 2-imidazoline / Nitramine / Heteroaromatic compound / Organic nitro compound / Azacycle
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptorsimidazolidines, monochloropyridine (CHEBI:5870 ) / Neonicotinoid insecticides (C11110 )

Targets

Kind
Protein
Organism
Human
Pharmacological action
unknown
General Function:
Extracellular ligand-gated ion channel activity
Specific Function:
Not Available
Gene Name:
CHRFAM7A
Uniprot ID:
Q494W8
Uniprot Name:
CHRNA7-FAM7A fusion protein
Molecular Weight:
46217.335 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Drug created on February 25, 2016 11:38 / Updated on June 24, 2017 13:33