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    Chemistry

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    Also known as: 57734-69-7, Sequifenadine [inn], 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol, C7q3tbr3fp, Bicarphene, 1-azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol hydrochloride
    Molecular Formula
    C22H27NO
    Molecular Weight
    321.5  g/mol
    InChI Key
    OXDOWGVJMITMJL-UHFFFAOYSA-N
    FDA UNII
    C7Q3TBR3FP
    Sequifenadine
    1 2D Structure

    Sequifenadine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol
    2.1.2 InChI
    InChI=1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3
    2.1.3 InChI Key
    OXDOWGVJMITMJL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4C)O
    2.2 Other Identifiers
    2.2.1 UNII
    C7Q3TBR3FP
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bicarfen

    2. Bicarphen

    3. Bicarphene

    4. Bicarphene Hydrochloride

    5. Bikarfen

    6. Quinuclidinyl-3-di(o-tolyl)carbinol

    7. Quinuclidyl-3-di-o-tolylcarbinol

    2.3.2 Depositor-Supplied Synonyms

    1. 57734-69-7

    2. Sequifenadine [inn]

    3. 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol

    4. C7q3tbr3fp

    5. Bicarphene

    6. 1-azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol Hydrochloride

    7. Sequifenadina

    8. Sequifenadinum

    9. Sequifenadinum [latin]

    10. Sequifenadina [spanish]

    11. Unii-c7q3tbr3fp

    12. Brn 1548429

    13. Alpha,alpha-di-o-tolyl-3-quinuclidinemethanol

    14. Benzhydrol, 2,2'-dimethyl-alpha-(3-quinuclidinyl)-

    15. 1-azabicyclo[2.2.2]octane-3-methanol, Alpha,alpha-bis(2-methylphenyl)-, Hydrochloride

    16. 3-quinuclidinemethanol, Alpha,alpha-di-o-tolyl-

    17. Sequifenadine [mart.]

    18. Sequifenadine [who-dd]

    19. Schembl1813871

    20. Chembl2105505

    21. Schembl11761803

    22. Dtxsid40866647

    23. Albb-014236

    24. Stl026230

    25. Akos005174257

    26. Db13566

    27. Hy-w281862

    28. Ncgc00326051-01

    29. Cs-0326942

    30. D10510

    31. Ab01321356-02

    32. Sr-01000944892

    33. Q4418107

    34. Sr-01000944892-1

    35. 1-azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol

    36. (1-azabicyclo[2.2.2]octan-3-yl)bis(2-methylphenyl)methanol

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 321.5 g/mol
    Molecular Formula C22H27NO
    XLogP34.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass321.209264485 g/mol
    Monoisotopic Mass321.209264485 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity406
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    R - Respiratory system

    R06 - Antihistamines for systemic use

    R06A - Antihistamines for systemic use

    R06AX - Other antihistamines for systemic use

    R06AX32 - Sequifenadine

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