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    Technical details about D-Pentazocine, learn more about the structure, uses, toxicity, action, side effects and more

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    D-Pentazocine

    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: (+)-pentazocine, D-pentazocine, Pentazocine, d-, Pentazocine, (+)-, 7361-76-4, Pentazocine 2s,6s,11s-form [mi]
    Molecular Formula
    C19H27NO
    Molecular Weight
    285.4  g/mol
    InChI Key
    VOKSWYLNZZRQPF-CCKFTAQKSA-N
    FDA UNII
    A2G9VU2P2J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,9S,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
    2.1.2 InChI
    InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
    2.1.3 InChI Key
    VOKSWYLNZZRQPF-CCKFTAQKSA-N
    2.1.4 Canonical SMILES
    CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@@H]2CC3=C([C@]1(CCN2CC=C(C)C)C)C=C(C=C3)O
    2.2 Other Identifiers
    2.2.1 UNII
    A2G9VU2P2J
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. (+)-pentazocine

    2. D-pentazocine

    3. Pentazocine, D-

    4. Pentazocine, (+)-

    5. 7361-76-4

    6. Pentazocine 2s,6s,11s-form [mi]

    7. A2g9vu2p2j

    8. Chembl60542

    9. (-)-pentazocine

    10. 2,6-methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (2s,6s,11s)-

    11. (+)-[3h]-pentazocine

    12. [3h]-(+)-pentazocine

    13. Chembl2311194

    14. (2s,6s,11s)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol

    15. (+)-alpha-pentazocine

    16. Unii-a2g9vu2p2j

    17. (+)-pen-tazocine

    18. (+)-pentazocine, Solid

    19. Schembl4461209

    20. Dtxsid90870517

    21. (+)-.alpha.-pentazocine

    22. (2r,6r,11r)-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

    23. (6r,11s)-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

    24. 6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

    25. Zinc2015833

    26. Bdbm50035131

    27. Bdbm50423875

    28. Pdsp2_001657

    29. (-)-pentazocine, >=98% (hplc)

    30. Q27273533

    31. (+)-(6r,11s)-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

    32. (1s,9s,13s)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol

    33. (2r,6r,11s)-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

    34. (2s,3r,6s,11s)-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

    35. (2s,6s,11s)-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

    36. 6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-ethano-benzo[d]azocin-8-ol(+)-pentazocine

    37. 6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol ((+)-pentazocine)

    38. 6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol Anion

    39. 6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol((+)pentazocine)

    2.4 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 285.4 g/mol
    Molecular Formula C19H27NO
    XLogP33.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass285.209264485 g/mol
    Monoisotopic Mass285.209264485 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity414
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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