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    Technical details about Tox21_301028, learn more about the structure, uses, toxicity, action, side effects and more

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    Tox21_301028

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    DOSSIERs // Finished Dosage Forms

    MARKET PLACE

    DIGITAL CONTENT

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 105827-78-9, N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide, 1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-n-nitro-imidazol-2-amine, 1-((6-chloro-3-pyridinyl)methyl)-n-nitro-4,5-dihydro-1h-imidazol-2-amine, Imidacloprid [mi], Imidacloprid [hsdb]
    Molecular Formula
    C9H10ClN5O2
    Molecular Weight
    255.66  g/mol
    InChI Key
    YWTYJOPNNQFBPC-UHFFFAOYSA-N
    FDA UNII
    3BN7M937V8
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
    2.1.2 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)
    2.1.3 InChI Key
    YWTYJOPNNQFBPC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    3BN7M937V8
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 105827-78-9

    2. N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

    3. 1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-n-nitro-imidazol-2-amine

    4. 1-((6-chloro-3-pyridinyl)methyl)-n-nitro-4,5-dihydro-1h-imidazol-2-amine

    5. Imidacloprid [mi]

    6. Imidacloprid [hsdb]

    7. Bay Ntn 33893

    8. Imidacloprid [mart.]

    9. Mls001304087

    10. Imidacloprid [green Book]

    11. Hms2231f05

    12. Hms3373h06

    13. Bdbm50212288

    14. Mfcd00468059

    15. Advocate Component Imidacloprid

    16. Akos015895351

    17. Imidacloprid Component Of Advocate

    18. Imidacloprid [ema Epar Veterinary]

    19. Smr000718777

    20. Db-042420

    21. Ft-0631157

    22. Ft-0656073

    23. E79264

    24. Ab00876233-04

    25. A801327

    26. J-007111

    27. 1-(6-chloro-3-pyridylmethyl)-n-nitromidazolidin-2-ylideneamine

    28. 1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-n-nitro-1h-imidazol-2-amine

    29. 1-[(6-chloropyridin-3-yl)methyl]-n-nitro-4,5-dihydro-1h-imidazol-2-amine

    30. 2-chloro-5-{[2-(nitroamino)-4,5-dihydro-1h-imidazol-1-yl]methyl}pyridine

    31. N-[1-[(6-chloranylpyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

    32. N-{1-[(6-chloro-3-pyridyl)methyl]-4,5-dihydroimidazol-2-yl}nitramide

    33. N-(1-((6-chloropyridin-3-yl)methyl)-4,5-dihydro-1h-imidazol-2-yl)nitramide

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 255.66 g/mol
    Molecular Formula C9H10ClN5O2
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass255.0523023 g/mol
    Monoisotopic Mass255.0523023 g/mol
    Topological Polar Surface Area86.3 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity319
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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