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    Phoxim

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 5,491Xls

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    2D Structure
    Also known as: Baythion, Valexon, Volaton, Valexone, 14816-18-3, Foxima
    Molecular Formula
    C12H15N2O3PS
    Molecular Weight
    298.30  g/mol
    InChI Key
    ATROHALUCMTWTB-WYMLVPIESA-N
    Phoxim is a synthetic organophosphate acetylcholinesterase inhibitor that is used as a pesticide. It is characterized as a yellow liquid, and exposure occurs by inhalation, ingestion, or contact.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
    2.1.2 InChI
    InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+
    2.1.3 InChI Key
    ATROHALUCMTWTB-WYMLVPIESA-N
    2.1.4 Canonical SMILES
    CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1
    2.1.5 Isomeric SMILES
    CCOP(=S)(OCC)O/N=C(\C#N)/C1=CC=CC=C1
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Bay 77488

    2. Baythion

    3. Phenylglyoxylonitrile Oxime O,o-diethylphosphorothioate

    4. Sebacil

    5. Sebacil Pour-on

    6. Valekson

    7. Valexon

    2.2.2 Depositor-Supplied Synonyms

    1. Baythion

    2. Valexon

    3. Volaton

    4. Valexone

    5. 14816-18-3

    6. Foxima

    7. Phoxim Solution

    8. Phoxime

    9. Bay 77488

    10. Bayer 77488

    11. Bay Sra 7502

    12. Bayer 9053

    13. Bay 5621

    14. Oms 1170

    15. Ent 27488

    16. Benzoyl Cyanide O-(diethoxyphosphinothioyl)oxime

    17. B 77488

    18. (diethoxy-thiophosphoryloxyimino)-phenyl Acetonitrile

    19. 3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide

    20. 2-(diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile

    21. Phenylglyoxylonitrile Oxime O,o-diethyl Phosphorothioate

    22. O,o-diethyl Phosphorothioate, O-ester With Phenylglyoxylonitrile Oxime

    23. 4-ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide

    24. Ncgc00166158-01

    25. Dsstox_cid_14324

    26. Dsstox_rid_79143

    27. Dsstox_gsid_34324

    28. Phoxim [inn:ban]

    29. Caswell No. 902l

    30. Phoximum

    31. Foxima [inn-spanish]

    32. Phoxime [inn-french]

    33. Phoxime [iso-french]

    34. Phoximum [inn-latin]

    35. (z)-phoxim

    36. Phenylglyoxylnitrile Oxime O,o-diethyl Phosphorothioate

    37. Sebacil (insecticide)

    38. Cas-14816-18-3

    39. Phoxim [bsi:iso]

    40. Sra 7502

    41. Einecs 238-887-3

    42. 6f5v775vpo

    43. Bayer-9053

    44. Bay-77488

    45. Epa Pesticide Chemical Code 598800

    46. Unii-6f5v775vpo

    47. Phoxin

    48. Foxim

    49. Ai3-27448

    50. Phoxim 10 Microg/ml In Cyclohexane

    51. Phoxim 100 Microg/ml In Cyclohexane

    52. Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile

    53. Phoxim (ban)

    54. O,o-diethyl Alpha-cyanobenzylideneamino-oxyphosphonothioate

    55. Bayer 5621

    56. Benzeneacetonitrile, Alpha-(((diethoxyphosphinothioyl)oxy)imino)-

    57. O,o-diaethyl-o-(alpha-cyanbenzyliden-amino)-thionphosphat [german]

    58. O,o-diaethyl-o-(alpha-cyano-benzylidenamino)-monothiophosphat [german]

    59. Sebacil [veterinary] (tn)

    60. Schembl591312

    61. Chembl1906626

    62. Atrohalucmtwtb-wymlvpiesa-

    63. Dtxsid80860144

    64. O,o-diaethyl-o-(alpha-cyanbenzyliden-amino)-thionphosphat

    65. Glyoxylonitrile, Phenyl-, Oxime O,o-diethyl Phosphorothioate

    66. Glyoxylonitrile, Phenyl-, Oxime, O,o-diethyl Phosphorothioate

    67. O,o-diaethyl-o-(alpha-cyano-benzylidenamino)-monothiophosphat

    68. Tox21_113357

    69. Tox21_301580

    70. Akos015915518

    71. Tox21_113357_1

    72. Ncgc00163705-02

    73. Ncgc00166158-02

    74. Ncgc00255304-01

    75. 217075-82-6

    76. Phoxim, Pestanal(r), Analytical Standard

    77. C18757

    78. D08373

    79. 816p183

    80. A808742

    81. Sr-01000883974

    82. J-008445

    83. Sr-01000883974-1

    84. Q27895843

    85. (2z)-2-diethoxyphosphinothioyloxyimino-2-phenylacetonitrile

    86. Benzeneacetonitrile, [[(diethoxyphosphinothioyl)oxy]imino]-

    87. O,o-diaethyl-o-(.alpha.-cyanbenzyliden-amino)-thionphosphat

    88. O,o-diethyl-.alpha.-cyanobenzylidineaminooxyphosphonothiate

    89. (2z)-2-diethoxyphosphinothioyloxyimino-2-phenyl-ethanenitrile

    90. .alpha.-(((diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile

    91. O,o-diaethyl-o-(.alpha.-cyano-benzylidenamino)-monothiophosphat

    92. O,o-diethyl .alpha.-cyanobenzylideneamino-oxyphosphonothioate

    93. O,o-diethyl O-(.alpha.-cyanobenzylideneamino)phosphorothioate

    94. Benzeneacetonitrile, .alpha.-[[(diethoxyphosphinothioyl)oxy]imino]-

    95. 4-ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitril 4-sulfide

    2.3 Create Date
    2006-10-24
    3 Chemical and Physical Properties
    Molecular Weight 298.30 g/mol
    Molecular Formula C12H15N2O3PS
    XLogP34.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass298.05410052 g/mol
    Monoisotopic Mass298.05410052 g/mol
    Topological Polar Surface Area95.9 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity389
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Cholinesterase Inhibitors

    Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system. (See all compounds classified as Cholinesterase Inhibitors.)

    Insecticides

    Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics. (See all compounds classified as Insecticides.)