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Trimetoquinol

Trimetoquinol

Synopsis, Chemistry

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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

Trimetoquinol

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 Formula	C₁₉H₂₄ClNO₅
Molecular Weight	381.8 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	381.1343006 g/mol
Monoisotopic Mass	381.1343006 g/mol
Topological Polar Surface Area	80.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	409
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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.)