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Dimethisoquin Hydrochloride

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Chemistry

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Also known as: 2773-92-4, Quinisocaine hydrochloride, Dimethisoquin hcl, Quinisocaine hcl, Quotane, Dimethisoquin hydrochloride (2 g)

Molecular Formula

C₁₇H₂₅ClN₂O

Molecular Weight

308.8 g/mol

InChI Key

SEYCAKMZVYADRS-UHFFFAOYSA-N

FDA UNII

SMP2689462

1 2D Structure

Dimethisoquin Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride

2.1.2 InChI

InChI=1S/C17H24N2O.ClH/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3;/h6-8,10,13H,4-5,9,11-12H2,1-3H3;1H

2.1.3 InChI Key

SEYCAKMZVYADRS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C.Cl

2.2 Other Identifiers

2.2.1 UNII

SMP2689462

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-butyl-1-(2-dimethylaminoethoxy)isoquinoline

2. Dimethisoquin

3. Dimethisoquin Monohydrochloride, Monohydrate

4. Isochinol

5. Quinisocaine

6. Quotane

2.3.2 Depositor-Supplied Synonyms

1. 2773-92-4

2. Quinisocaine Hydrochloride

3. Dimethisoquin Hcl

4. Quinisocaine Hcl

5. Quotane

6. Dimethisoquin Hydrochloride (2 G)

7. Dimethisoquin Hydrochloride [usan]

8. Dsstox_cid_25373

9. Dsstox_rid_80835

10. Dsstox_gsid_45373

11. Dimethisoquin Hydrochloride (usan)

12. 2-(3-butylisoquinolin-1-yl)oxy-n,n-dimethylethanamine;hydrochloride

13. 3-butyl-1-(2-(dimethylamino)ethoxy)isoquinoline Monohydrochloride

14. Smp2689462

15. Ethanamine, 2-((3-butyl-1-isoquinolinyl)oxy)-n,n-dimethyl-, Monohydrochloride

16. Ncgc00016618-01

17. Cas-2773-92-4

18. N-{2-[(3-butyl-1-isoquinolinyl)oxy]ethyl}-n,n-dimethylamine

19. Mls002153920

20. Schembl467135

21. Chembl1533364

22. Dtxsid6045373

23. Hms1569n22

24. Tox21_110528

25. Dimethisoquinhydrochloride(2g)

26. Akos024326188

27. Tox21_110528_1

28. Ccg-220630

29. Dimethisoquin Hydrochloride [mi]

30. Ncgc00016618-04

31. Quinisocaine Hydrochloride [mart.]

32. Smr000769826

33. Quinisocaine Hydrochloride [who-dd]

34. D06661

35. Sr-01000854196

36. Sr-01000854196-2

37. Q27289288

38. 2-(3-butylisoquinolin-1-yl)oxy-n,n-dimethylethanamine,hydrochloride

39. 2-[(3-butyl-1-isoquinolinyl)oxy]-n,n-dimethylethanamine Hydrochloride

40. (2-(3-butyl-isoquinolin-1-yloxy)-ethyl)-dimethyl-amine, Hydrochloride

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₅ClN₂O
Molecular Weight	308.8 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	308.1655411 g/mol
Monoisotopic Mass	308.1655411 g/mol
Topological Polar Surface Area	25.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	270
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anesthetics, Local

Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate. (See all compounds classified as Anesthetics, Local.)

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