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    Chemistry

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    Also known as: 101530-10-3, Latoconazole, Astat, Nnd-318, Tjn-318, Lanoconazole [inn]
    Molecular Formula
    C14H10ClN3S2
    Molecular Weight
    319.8  g/mol
    InChI Key
    ZRTQSJFIDWNVJW-WYMLVPIESA-N
    FDA UNII
    4E7858311F
    Lanoconazole
    1 2D Structure

    Lanoconazole

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile
    2.1.2 InChI
    InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+
    2.1.3 InChI Key
    ZRTQSJFIDWNVJW-WYMLVPIESA-N
    2.1.4 Canonical SMILES
    C1C(SC(=C(C#N)N2C=CN=C2)S1)C3=CC=CC=C3Cl
    2.1.5 Isomeric SMILES
    C1C(S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=CC=CC=C3Cl
    2.2 Other Identifiers
    2.2.1 UNII
    4E7858311F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene)-1-imidazolylacetonitrile

    2. Latoconazole

    3. Latoconazole, (e)-isomer

    4. Latoconazole, (z)-isomer

    5. Nnd 318

    6. Nnd-318

    2.3.2 Depositor-Supplied Synonyms

    1. 101530-10-3

    2. Latoconazole

    3. Astat

    4. Nnd-318

    5. Tjn-318

    6. Lanoconazole [inn]

    7. 126509-69-1

    8. (2e)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile

    9. Dsstox_gsid_46428

    10. 153222-93-6

    11. 4e7858311f

    12. 1h-imidazole-1-acetonitrile, Alpha-(4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene)-, (alphae)-

    13. 1h-imidazole-1-acetonitrile, Alpha-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-, (alphae)-

    14. Brn 4819111

    15. [4-(2-chloro-phenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile

    16. Unii-4e7858311f

    17. Ncgc00164544-01

    18. Astat (tn)

    19. Lanoconazole [mi]

    20. (4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene)-1-imidazolylacetonitrile

    21. Lanoconazole [jan]

    22. Lanoconazole (jp17/inn)

    23. (+-)-(e)-(4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene)-1-imidazolylacetonitrile

    24. (e)-alpha-(4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene)-1h-imidazole-1-acetonitrile

    25. Lanoconazole [mart.]

    26. Lanoconazole [who-dd]

    27. Schembl342635

    28. Chembl1555126

    29. Chebi:31761

    30. Amy32553

    31. Bdbm50248305

    32. 2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile

    33. Akos015900193

    34. Ac-5318

    35. At35543

    36. (+-)-alpha-((e)-4-(o-chlorophenyl)-1,3-dithiolan-2-ylidene)imidazole-1-acetonitrile

    37. (2e)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile

    38. 1h-imidazole-1-acetonitrile, Alpha-(4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene)-

    39. 1h-imidazole-1-acetonitrile, Alpha-(4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene)-, (e)-(+-)-

    40. As-12927

    41. Lanoconazole 100 Microg/ml In Acetonitrile

    42. D01092

    43. Lanoconazole, Vetranal(tm), Analytical Standard

    44. 530l103

    45. Sr-01000945047

    46. J-000422

    47. Sr-01000945047-1

    48. Q27259479

    49. Alpha-[4-(2-chlorophenyl)-1,3-dithiolane-2-ylidene]-1h-imidazole-1-acetonitrile

    50. (+/-)-.alpha.-((e)-4-(o-chlorophenyl)-1,3-dithiolan-2-ylidene)imidazole-1-acetonitrile

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 319.8 g/mol
    Molecular Formula C14H10ClN3S2
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass319.0004674 g/mol
    Monoisotopic Mass319.0004674 g/mol
    Topological Polar Surface Area92.2 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity445
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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    [{"dataSource":"API Export","activeIngredients":"","year":"2022","qtr":"Q4","strtotime":1665599400,"product":"LANOCONAZOLE (EXPORT INVOICE NO:V\/EX\/22","address":"PLOT NO. 72, H.NO. 8-2-334\/3 & 4 ROAD NO.5, BANJARA HILLS, Contact N","city":"HYDERABAD","supplier":"SMS PHARMACEUTICALS","supplierCountry":"INDIA","foreign_port":"BASLE","customer":"TO THE ORDER OF","customerCountry":"SWITZERLAND","quantity":"50.00","actualQuantity":"50","unit":"KGS","unitRateFc":"5300","totalValueFC":"259284.3","currency":"USD","unitRateINR":426700,"date":"13-Oct-2022","totalValueINR":"21335000","totalValueInUsd":"259284.3","indian_port":"HYDERABAD AIR","hs_no":"29420090","bill_no":"4786118","productDescription":"API","marketType":"REGULATED MARKET","country":"SWITZERLAND","selfForZScoreResived":"Pharma Grade","supplierPort":"HYDERABAD AIR","supplierAddress":"PLOT NO. 72, H.NO. 8-2-334\/3 & 4 ROAD NO.5, BANJARA HILLS, Contact N, HYDERABAD","customerAddress":""}]
    13-Oct-2022
    13-Oct-2022
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