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Technical details about Trimetoquinol, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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.)


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