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    Higenamine Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 11041-94-4, Higenamine hcl, 6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride, (+-)-demethylcoclaurine hydrochloride, Demethylcoclaurine hcl, Mfcd01717353
    Molecular Formula
    C16H18ClNO3
    Molecular Weight
    307.77  g/mol
    InChI Key
    SWWQQSDRUYSMAR-UHFFFAOYSA-N
    FDA UNII
    PQ432PID6E
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
    2.1.2 InChI
    InChI=1S/C16H17NO3.ClH/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14;/h1-4,8-9,14,17-20H,5-7H2;1H
    2.1.3 InChI Key
    SWWQQSDRUYSMAR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    PQ432PID6E
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 11041-94-4

    2. Higenamine Hcl

    3. 6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline Hydrochloride

    4. (+-)-demethylcoclaurine Hydrochloride

    5. Demethylcoclaurine Hcl

    6. Mfcd01717353

    7. Higenamine (hydrochloride)

    8. Pq432pid6e

    9. 11041-94-4 (hcl)

    10. Demethylcoclaurine Hydrochloride

    11. 1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride

    12. 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride

    13. Demethyl

    14. 6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline Hcl

    15. 6,7-isoquinolinediol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-, Hydrochloride (1:1)

    16. Unii-pq432pid6e

    17. Norcoclaurine Hcl

    18. 6,7-isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, Hydrochloride (1:1)

    19. Higenamine?hydrochloride

    20. (+-)-1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6,7-isoquinolinediol Hydrochloride

    21. 6,7-isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, Hydrochloride, (+-)-

    22. Hy-n2037a

    23. Dtxsid10911673

    24. (+/-)-higenamine Hcl - Natural

    25. Bcp07397

    26. (+/-)-higenamine Hcl - Synthetic

    27. S3960

    28. Akos025287070

    29. Ccg-267555

    30. _x000d_67-dihydroxy-1-(4-hydroxybenzyl)-1234-tetrahydroisoquinoline Hydrochloride

    31. 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6,7-isoquinolinediol Hydrochloride

    32. 1-(4-hydroxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydro Chloride (1:1)

    33. 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride

    34. Ac-26395

    35. As-10415

    36. Sy029900

    37. Xh163199

    38. Db-059995

    39. Cs-0016803

    40. Ft-0696741

    41. (+/-)-demethylcoclaurine Hydrochloride

    42. Demethylcoclaurine Hydrochloride, (+/-)-

    43. J-503750

    44. Q27286703

    45. 1-(4-hydroxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydrochloride

    46. 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol--hydrogen Chloride (1/1)

    47. 6,7-isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, Hydrochloride, (+/-)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 307.77 g/mol
    Molecular Formula C16H18ClNO3
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass307.0975211 g/mol
    Monoisotopic Mass307.0975211 g/mol
    Topological Polar Surface Area72.7 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity317
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2