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    Tazarotenic Acid

    PharmaCompass
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    2D Structure
    Also known as: 118292-41-4, Agn 190299, Agn-190299, 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinic acid, 6-(2-(4,4-dimethylthiochroman-6-yl)ethynyl)nicotinic acid, 3-pyridinecarboxylicacid, 6-[2-(3,4-dihydro-4,4-dimethyl-2h-1-benzothiopyran-6-yl)ethynyl]-
    Molecular Formula
    C19H17NO2S
    Molecular Weight
    323.4  g/mol
    InChI Key
    IQIBKLWBVJPOQO-UHFFFAOYSA-N
    FDA UNII
    85FDJ14553
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)
    2.1.3 InChI Key
    IQIBKLWBVJPOQO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)C
    2.2 Other Identifiers
    2.2.1 UNII
    85FDJ14553
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-(2-(4,4-dimethylthiochroman-6-yl)ethynyl)nicotinic Acid

    2. Agn 190299

    3. Agn-190299

    2.3.2 Depositor-Supplied Synonyms

    1. 118292-41-4

    2. Agn 190299

    3. Agn-190299

    4. 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinic Acid

    5. 6-(2-(4,4-dimethylthiochroman-6-yl)ethynyl)nicotinic Acid

    6. 3-pyridinecarboxylicacid, 6-[2-(3,4-dihydro-4,4-dimethyl-2h-1-benzothiopyran-6-yl)ethynyl]-

    7. 6-[2-(3,4-dihydro-4,4-dimethyl-2h-1-benzothiopyran-6-yl)ethynyl]-3-pyridine Carboxylic Acid

    8. Chebi:73129

    9. 6-((3,4-dihydro-4,4-dimethyl-2h-1-benzothiopyran-6-yl)ethynyl)-3-pyridinecarboxylic Acid

    10. 85fdj14553

    11. 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylic Acid

    12. Agn 190299;agn-190299;agn190299

    13. 6-[(4,4-dimethyl-3,4-dihydro-2h-1-benzothiopyran-6-yl)ethynyl]nicotinic Acid

    14. Tazarotenic

    15. Unii-85fdj14553

    16. Ddbep

    17. 6-(4,4-dimethyl-thiochroman-6-ylethynyl)-nicotinic Acid

    18. Schembl678713

    19. Chembl1201375

    20. Zinc24890

    21. Dtxsid60152094

    22. Us9963439, Tazarotenic Acid

    23. Bdbm393290

    24. Hms3740m05

    25. Bcp07476

    26. Tazarotenic Acid (agn 190299)

    27. Tazarotenic Acid, >=98% (hplc)

    28. Akos024123908

    29. As-76893

    30. Hy-101108

    31. Cs-0020860

    32. Ft-0674823

    33. A14347

    34. C21518

    35. E85141

    36. 292d414

    37. A803905

    38. J-003730

    39. Q27140328

    40. 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinicacid

    41. 6-(4,4-dimethylthiochroman-6-ylethynyl) Nicotinic Acid

    42. 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl] Nicotinic Acid

    43. 6-[(4,4-dimethyl-3,4-dihydro-2h-thiochromen-6-yl)ethynyl]pyridine-3-carboxylic Acid

    44. 6-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic Acid

    45. 3-pyridinecarboxylic Acid, 6-((3,4-dihydro-4,4-dimethyl-2h-1-benzothiopyran-6-yl)ethynyl)-

    46. 3-pyridinecarboxylic Acid, 6-(2-(3,4-dihydro-4,4-dimethyl-2h-1-benzothiopyran-6-yl)ethynyl)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 323.4 g/mol
    Molecular Formula C19H17NO2S
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass323.09799996 g/mol
    Monoisotopic Mass323.09799996 g/mol
    Topological Polar Surface Area75.5 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity518
    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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