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2D Structure
Also known as: Vatinoxan hydrochloride, 130466-38-5, 66932r910r, Refchem:58019, Mk-467, Mk-467 hcl
Molecular Formula
C20H27ClN4O4S
Molecular Weight
455.0  g/mol
InChI Key
UTMOWVIYZQWJHT-VASSOYJASA-N
FDA UNII
66932R910R

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[2-[(2R,12bS)-2'-oxospiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,5'-imidazolidine]-1'-yl]ethyl]methanesulfonamide;hydrochloride
2.1.2 InChI
InChI=1S/C20H26N4O4S.ClH/c1-29(26,27)22-8-11-24-19(25)21-13-20(24)7-10-23-9-6-15-14-4-2-3-5-17(14)28-18(15)16(23)12-20;/h2-5,16,22H,6-13H2,1H3,(H,21,25);1H/t16-,20+;/m0./s1
2.1.3 InChI Key
UTMOWVIYZQWJHT-VASSOYJASA-N
2.2 Other Identifiers
2.2.1 UNII
66932R910R
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Vatinoxan Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. Vatinoxan Hydrochloride

2. 130466-38-5

3. 66932r910r

4. Refchem:58019

5. Mk-467

6. Mk-467 Hcl

7. Mfcd08056257

8. 130466-38-5 (hcl)

9. N-[2-[(2r,12bs)-2'-oxospiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,5'-imidazolidine]-1'-yl]ethyl]methanesulfonamide;hydrochloride

10. Vatinoxan Hydrochloride (usan)

11. Vatinoxan Hydrochloride [usan]

12. N-(2-((2r,12bs)-2'-oxo-1,3,4,6,7,12b-hexahydrospiro[benzofuro[2,3-a]quinolizine-2,4'-imidazolidin]-3'-yl)ethyl)methanesulfonamide Hydrochloride

13. Unii-66932r910r

14. N-[2-[(2r,12bs)-2'-oxo-1,3,4,6,7,12b-hexahydrospiro[benzofuro[2,3-a]quinolizine-2,4'-imidazolidin]-3'-yl]ethyl]methanesulfonamide Hydrochloride

15. C20h27cln4o4s

16. Orb1708265

17. Chembl4298166

18. Schembl17819030

19. Dtxsid30926749

20. Hy-19057a

21. Akos032954160

22. Da-68541

23. Ms-28291

24. Sy476638

25. Cs-0018087

26. D11321

27. G13425

28. Q27263984

29. N-(2-((2r,12bs)-2'-oxo-1,3,4,6,7,12b-hexahydrospiro(benzofuro(2,3-a)quinolizine-2,4'-imidazolidin)-3'-yl)ethyl)methanesulfonamide Monohydrochloride

30. N-[2-(2'-hydroxy-1,3,4,6,7,12b-hexahydrospiro[1-benzofuro[2,3-a]quinolizine-2,4'-imidazol]-3'(5'h)-yl)ethyl]methanesulfonamide--hydrogen Chloride (1/1)

31. N-[2-[(2r,12bs)-2'-oxospiro[1,3,4,6,7,12b-hexahydrobenzofuro[2,3-a]quinolizine-2,5'-imidazolidine]-1'-yl]ethyl]methanesulfonamide;hydrochloride

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 455.0 g/mol
Molecular Formula C20H27ClN4O4S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area103
Heavy Atom Count30
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2