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    CAS 93413-77-5

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 93413-77-5, 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol, Dinorvenlafaxine, 1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol, D,l-n,n-didesmethyl venlafaxine, 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
    Molecular Formula
    C15H23NO2
    Molecular Weight
    249.35  g/mol
    InChI Key
    SUQHIQRIIBKNOR-UHFFFAOYSA-N
    FDA UNII
    3235EO37UJ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
    2.1.2 InChI
    InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3
    2.1.3 InChI Key
    SUQHIQRIIBKNOR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O
    2.2 Other Identifiers
    2.2.1 UNII
    3235EO37UJ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 93413-77-5

    2. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol

    3. Dinorvenlafaxine

    4. 1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol

    5. D,l-n,n-didesmethyl Venlafaxine

    6. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

    7. N,n-didesmethylvenlafaxine, (+/-)-

    8. Chembl98158

    9. Chebi:83446

    10. 3235eo37uj

    11. 1-(2-amino-1-(p-methoxyphenyl)ethyl)cyclohexanol

    12. Cyclohexanol, 1-(2-amino-1-(4-methoxyphenyl)ethyl)-

    13. 2-(4-methoxyphenyl)-2-(1-hydroxycyclohexyl)-ethylamine

    14. 1-[2-amino-1-(p-methoxyphenyl)ethyl]cyclohexanol

    15. 1-(2-amino-1-(4-methoxy Phenyl)ethyl)cyclohexanol

    16. Discontinued. Please See A611968

    17. N,n-didesvenlafaxine

    18. 1-[2-amino-1-(4-methoxy Phenyl)ethyl]cyclohexanol

    19. 1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexan-1-ol

    20. Unii-3235eo37uj

    21. Venlafaxine Hydrochloride Impurity C [ep]

    22. Venlafaxine Ep Impurity C

    23. N,n-didesmethyl Venlafaxine

    24. Schembl637250

    25. Didesmethyl Venlafaxine, N,n-

    26. (discontinued) See M745032

    27. Dtxsid50891440

    28. Venlafaxine Hydrochloride Impurity, Didesmethyl Venlafaxine- [usp]

    29. 3,3-thiodipropionicaciddimethylester

    30. Bdbm50010888

    31. Mfcd07367622

    32. Rac Cis-moxifloxacin-d4 Acyl Sulfate

    33. Akos015994493

    34. Ss-3413

    35. Cs-0357626

    36. Ft-0642244

    37. 1-[2-amino-1(p-methoxyphenyl)ethyl]cyclohexanol

    38. 1-[1-(4-methoxyphenyl)-2-aminoethyl]cyclohexanol

    39. 413a775

    40. A844587

    41. 1-[2-amino-1-(4-methoxyphenyl)ethyl] Cyclohexanol

    42. 1-[2-amino-1-(4-methoxyphenyl)ethyl]-cyclohexanol

    43. 1-[2-amino-1-(p-methoxyphenyl)ethyl] Cyclohexanol

    44. Q27156830

    45. Venlafaxine Hydrochloride Impurity C [ep Impurity]

    46. 1-[2-amino-1-(4-methoxy-phenyl)-ethyl]-cyclohexanol (hcl)

    47. Venlafaxine Hydrochloride Impurity, Didesmethyl Venlafaxine- [usp Impurity]

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 249.35 g/mol
    Molecular Formula C15H23NO2
    XLogP32.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass249.172878976 g/mol
    Monoisotopic Mass249.172878976 g/mol
    Topological Polar Surface Area55.5 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity243
    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

    N06AX16

    S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448

    N06AX16

    S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448