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    Trimetoquinol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Trimethoquinol, Inolin, Trimetoquinol-hydrochloride, Aql 208, Trikvinol (triquinol) hydrochloride, (-)-trimetoquinol; aql 208; bentomex; inolin; nsc 288748
    Molecular Formula
    C19H24ClNO5
    Molecular Weight
    381.8  g/mol
    InChI Key
    UHSXRTHJCJGEKG-UHFFFAOYSA-N
    FDA UNII
    100GVI988J
    An adrenergic beta-agonist used as a bronchodilator agent in asthma therapy.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
    2.1.2 InChI
    InChI=1S/C19H23NO5.ClH/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;/h7-10,14,20-22H,4-6H2,1-3H3;1H
    2.1.3 InChI Key
    UHSXRTHJCJGEKG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2)O)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    100GVI988J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Aq 110

    2. Aq-110

    3. Aq110

    4. Aql 208

    5. Aql-208

    6. Aql208

    7. Cv 705

    8. Cv-705

    9. Cv705

    10. Tetroquinol

    11. Tretoquinol

    12. Tretoquinol Hydrochloride

    13. Tretoquinol Hydrochloride Anhydrous

    14. Tretoquinol Hydrochloride, (s)-isomer

    15. Tretoquinol-(r)

    16. Tretoquinol-(s) Hcl

    17. Trimethoquinol

    2.3.2 Depositor-Supplied Synonyms

    1. Trimethoquinol

    2. Inolin

    3. Trimetoquinol-hydrochloride

    4. Aql 208

    5. Trikvinol (triquinol) Hydrochloride

    6. (-)-trimetoquinol; Aql 208; Bentomex; Inolin; Nsc 288748

    7. 100gvi988j

    8. Nsc-288748

    9. S-(-)-tretoquinol Hydrochloride

    10. (-)-trimethoquinol

    11. Chembl542101

    12. Schembl1630263

    13. (+/-)-tretoquinol Hydrochloride

    14. Dtxsid00931229

    15. Dl-trimetoquinol Hydrochloride

    16. Nsc288748

    17. 14187-92-9

    18. (+/-)-trimetoquinol Hydrochloride

    19. Tretoquinol Hydrochloride, (+/-)-

    20. Tretoquinol Dl-form Hydrochloride [mi]

    21. Tretoquinol Hydrochloride Anhydrous, (+/-)-

    22. Q27251091

    23. 6, 1,2,3,4-tetrahydro-1-(3,4,5-trimethoxybenzyl)-, Hydrochloride, (-)-

    24. 1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride

    25. 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride

    26. 6, 1,2,3,4-tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-, Hydrochloride, (s)-

    27. L-1-(3,5-trimethoxybenzl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline Hcl

    28. 1-(3,4,5-trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride

    29. 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol--hydrogen Chloride (1/1)

    30. 6,7-isoquinolinediol, 1,2,3,4-tetrahydro-1-((3,4,5-trimethoxyphenyl)methyl)-, Hydrochloride (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 381.8 g/mol
    Molecular Formula C19H24ClNO5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass381.1343006 g/mol
    Monoisotopic Mass381.1343006 g/mol
    Topological Polar Surface Area80.2 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity409
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Bronchodilator Agents

    Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)

    Adrenergic beta-Agonists

    Drugs that selectively bind to and activate beta-adrenergic receptors. (See all compounds classified as Adrenergic beta-Agonists.)

    Sympathomimetics

    Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. (See all compounds classified as Sympathomimetics.)