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2D Structure
Also known as: 748810-28-8, Vernakalant hcl, Brinavess, Kynapid, Vernakalant (hydrochloride), Rsd1235
Molecular Formula
C20H32ClNO4
Molecular Weight
385.9  g/mol
InChI Key
JMHYCBFEEFHTMK-IIUXMCBISA-N
FDA UNII
7G4J1ZD9UQ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride
2.1.2 InChI
InChI=1S/C20H31NO4.ClH/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21;/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3;1H/t16-,17-,18-;/m1./s1
2.1.3 InChI Key
JMHYCBFEEFHTMK-IIUXMCBISA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)CCOC2CCCCC2N3CCC(C3)O)OC.Cl
2.1.5 Isomeric SMILES
COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC.Cl
2.2 Other Identifiers
2.2.1 UNII
7G4J1ZD9UQ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Rsd 1235

2. Rsd-1235

3. Rsd1235

4. Vernakalant

2.3.2 Depositor-Supplied Synonyms

1. 748810-28-8

2. Vernakalant Hcl

3. Brinavess

4. Kynapid

5. Vernakalant (hydrochloride)

6. Rsd1235

7. Vernakalant Hydrochloride [usan]

8. Rsd-1235

9. 7g4j1zd9uq

10. (3r)-1-((1r,2r)-2-(2-(3,4-dimethoxyphenyl)ethoxy)cyclohexyl)pyrrolidin-3-ol Hydrochloride

11. Vernakalant Hydrochloride (usan)

12. Rsd 1235

13. Unii-7g4j1zd9uq

14. (3r)-1-[(1r,2r)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol Hydrochloride

15. Schembl439679

16. Chembl2107383

17. Dtxsid30976007

18. (3r)-1-[(1r,2r)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride

19. Yeb81028

20. Vernakalant Hydrochloride [mi]

21. Cs-0799

22. Mk-6621

23. Vernakalant Hydrochloride [mart.]

24. As-58436

25. Hy-14183

26. Vernakalant Hydrochloride [who-dd]

27. Vernakalant Hydrochloride [ema Epar]

28. C76396

29. D06665

30. A915186

31. Q27268233

32. Rsd1235 Hydrochloride;rsd 1235 Hydrochloride;rsd-1235 Hydrochloride

33. (3r)-1-[(1r,2r)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-3-pyrrolidinol Hydrochloride

34. 1-{2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl}pyrrolidin-3-ol--hydrogen Chloride (1/1)

35. (3r)-1-[(1r,2r)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-3-pyrrolidinol Monohydrochloride

36. 3-pyrrolidinol, 1-((1r,2r)-2-(2-(3,4-dimethoxyphenyl)ethoxy)cyclohexyl)-, Hydrochloride, (3r)-

37. 605683-48-5

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 385.9 g/mol
Molecular Formula C20H32ClNO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass385.2019862 g/mol
Monoisotopic Mass385.2019862 g/mol
Topological Polar Surface Area51.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Indication

Rapid conversion of recent onset atrial fibrillation to sinus rhythm in adults:

- for non-surgery patients: atrial fibrillation < /= 7 days duration;

- for post-cardiac surgery patients: atrial fibrillation < /= 3 days duration.


5 Pharmacology and Biochemistry
5.1 ATC Code

C01BG11