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Chemistry

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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

Vatinoxan Hydrochloride

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 Formula	C₂₀H₂₇ClN₄O₄S
Molecular Weight	455.0 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	103
Heavy Atom Count	30
Formal Charge	0
Complexity	756
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2