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    Dextrocarbinol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 38345-66-3, D-oxyphene, (2s,3r)-(+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol, (+)-darvon alcohol, (2s,3r)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol, Oxyphene
    Molecular Formula
    C19H25NO
    Molecular Weight
    283.4  g/mol
    InChI Key
    INTCGJHAECYOBW-APWZRJJASA-N
    FDA UNII
    5917USS6PV
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
    2.1.2 InChI
    InChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3/t16-,19+/m1/s1
    2.1.3 InChI Key
    INTCGJHAECYOBW-APWZRJJASA-N
    2.1.4 Canonical SMILES
    CC(CN(C)C)C(CC1=CC=CC=C1)(C2=CC=CC=C2)O
    2.1.5 Isomeric SMILES
    C[C@H](CN(C)C)[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)O
    2.2 Other Identifiers
    2.2.1 UNII
    5917USS6PV
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 38345-66-3

    2. D-oxyphene

    3. (2s,3r)-(+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol

    4. (+)-darvon Alcohol

    5. (2s,3r)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol

    6. Oxyphene

    7. 5917uss6pv

    8. Darvon Alcohol

    9. Mosher's Reagent

    10. (+)-oxyphene

    11. Unii-5917uss6pv

    12. (2s,3r)-4-(dimethylamino)-1,2-diphenyl-3-methylbutan-2-ol (oxyphene)

    13. Einecs 253-893-6

    14. Chirald(r), 99%

    15. Chirald [mi]

    16. Schembl924297

    17. Zinc56565

    18. Dtxsid70273961

    19. Akos015894842

    20. (s-(r*,s*))-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenylphenethyl Alcohol

    21. (2s,3r)-(+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol, (2s,3r)-(+)-4-dimethylamino-3-methyl-1,2-diphenyl-2-butanol, Dextrocarbinol Base

    22. W-110904

    23. Q27261634

    24. Dextropropoxyphene Hydrochloride Impurity A [ep Impurity]

    25. [s-(r*,s*)]-[2-(dimethylamino)-1-methylethyl]-phenylphenethyl Alcohol

    26. Benzeneethanol, ?-[(1r)-2-(dimethylamino)-1-methylethyl]-?-phenyl-, (?s)-

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 283.4 g/mol
    Molecular Formula C19H25NO
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count6
    Exact Mass283.193614421 g/mol
    Monoisotopic Mass283.193614421 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity292
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1