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    Technical details about IPA-3, learn more about the structure, uses, toxicity, action, side effects and more

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    IPA 3

    DEVELOPMENTS

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Ipa-3, 42521-82-4, Ipa 3, 1,1'-dithiodi-2-naphthol, 1,1'-disulfanediylbis(naphthalen-2-ol), Ipa3
    Molecular Formula
    C20H14O2S2
    Molecular Weight
    350.5  g/mol
    InChI Key
    RFAXLXKIAKIUDT-UHFFFAOYSA-N
    FDA UNII
    3XFG6MQ9G2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
    2.1.2 InChI
    InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
    2.1.3 InChI Key
    RFAXLXKIAKIUDT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    3XFG6MQ9G2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Ipa-3

    2. 42521-82-4

    3. Ipa 3

    4. 1,1'-dithiodi-2-naphthol

    5. 1,1'-disulfanediylbis(naphthalen-2-ol)

    6. Ipa3

    7. 2-naphthol, 1,1'-dithiodi-

    8. 2-naphthalenol, 1,1'-dithiobis-

    9. 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol

    10. 3xfg6mq9g2

    11. Chembl472940

    12. Unii-3xfg6mq9g2

    13. 1,1'-dithiodi-2-naphthtol

    14. 1,1'-disulfanediyldinaphthalen-2-ol

    15. Dihydroxydinaphthyldisulphide

    16. Mls006011676

    17. F0400-0044

    18. Gtpl8940

    19. Schembl4907161

    20. Chebi:95062

    21. Dtxsid70195311

    22. Chebi:101355

    23. Hms3229j05

    24. Hms3263p06

    25. Hms3414c17

    26. Hms3653g03

    27. Hms3678c17

    28. Zinc1957909

    29. Tox21_501272

    30. Bdbm50112354

    31. Mfcd00388917

    32. S7093

    33. Akos001589606

    34. Ccg-222576

    35. Cs-1432

    36. Lp01272

    37. Sdccgsbi-0207173.p002

    38. 1,1'-disulfanediyldi(naphthalen-2-ol)

    39. Ipa-3, >=95% (hplc), Powder

    40. Ncgc00186047-01

    41. Ncgc00186047-02

    42. Ncgc00186047-12

    43. Ncgc00261957-01

    44. As-82043

    45. Hy-15663

    46. Smr001456562

    47. Sw220299-1

    48. D83674

    49. 1-[(2-hydroxy-1-naphthyl)disulfanyl]-2-naphthol

    50. A918483

    51. 1-(2-hydroxynaphthalen-1-yl)disulfanylnaphthalen-2-ol

    52. Q27078087

    53. 1081767-20-5

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 350.5 g/mol
    Molecular Formula C20H14O2S2
    XLogP35.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass350.04352203 g/mol
    Monoisotopic Mass350.04352203 g/mol
    Topological Polar Surface Area91.1 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity380
    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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