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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

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 Formula	C₂₂H₃₆N₂O₄
Molecular Weight	392.5 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	392.26750763 g/mol
Monoisotopic Mass	392.26750763 g/mol
Topological Polar Surface Area	82.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	598
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	1