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Chemistry

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Also known as: 664338-39-0, Arterolane [inn], Oz 277, Rbx11160, Oz277, Oz-277
Molecular Formula
C22H36N2O4
Molecular Weight
392.5  g/mol
InChI Key
VXYZBLXGCYNIHP-UHFFFAOYSA-N
FDA UNII
3N1TN351VB

Arterolane
1 2D Structure

Arterolane

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
2.1.2 InChI Key
VXYZBLXGCYNIHP-UHFFFAOYSA-N
2.1.3 Canonical SMILES
CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N
2.2 Other Identifiers
2.2.1 UNII
3N1TN351VB
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Oz 277

2. Oz-277

3. Oz277 Cpd

4. Rbx 11160

5. Rbx-11160

2.3.2 Depositor-Supplied Synonyms

1. 664338-39-0

2. Arterolane [inn]

3. Oz 277

4. Rbx11160

5. Oz277

6. Oz-277

7. Rbx-11160

8. 3n1tn351vb

9. Rbx 11160

10. Oz 277;rbx 11160

11. N-(2-amino-2-methylpropyl)-2-{dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-4''-yl}acetamide

12. Arterolano

13. Arterolanum

14. Unii-3n1tn351vb

15. Oz277 Cpd

16. Arterolane [who-dd]

17. Chembl221773

18. Chembl404431

19. Chembl578577

20. Chembl580910

21. Schembl4547841

22. Chembl1197433

23. Schembl10307589

24. Schembl11379522

25. Schembl12612733

26. Schembl13951812

27. Dtxsid50985095

28. Chebi:136054

29. Zinc14191464

30. At25294

31. Ncgc00274173-01

32. Hy-10852

33. Cs-0002648

34. Dispiro(cyclohexane-1,3'-(1,2,4)trioxolane-5',2''-tricyclo(3.3.1.13,7)decane)-4-acetamide, N-(2-amino-2-methylpropyl)-, Cis-

35. N-(2-amino-2-methylpropyl)-2-((1r,3r,4''s,5r,5's,7r)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-yl)acetamide

36. N-(2-amino-2-methylpropyl)-2-[(1s,4s)-dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decan]-4-yl]acetamide

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 392.5 g/mol
Molecular Formula C22H36N2O4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass392.26750763 g/mol
Monoisotopic Mass392.26750763 g/mol
Topological Polar Surface Area82.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity598
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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