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Also known as: 941-37-7, 1-bromo-3,5-dimethyl-adamantane, Memantine impurity d, Se68kq68t1, 3,5-dimethyl-1-bromoadamantane, 1-bromo-3,5-dimethyltricyclo[3.3.1.13,7]decane
Molecular Formula
C12H19Br
Molecular Weight
243.18  g/mol
InChI Key
QUCXLVDIVQWYJR-UHFFFAOYSA-N
FDA UNII
SE68KQ68T1

CAS 941-37-7
1 2D Structure

CAS 941-37-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-3,5-dimethyladamantane
2.1.2 InChI
InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
2.1.3 InChI Key
QUCXLVDIVQWYJR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC12CC3CC(C1)(CC(C3)(C2)Br)C
2.2 Other Identifiers
2.2.1 UNII
SE68KQ68T1
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 941-37-7

2. 1-bromo-3,5-dimethyl-adamantane

3. Memantine Impurity D

4. Se68kq68t1

5. 3,5-dimethyl-1-bromoadamantane

6. 1-bromo-3,5-dimethyltricyclo[3.3.1.13,7]decane

7. Mfcd00077197

8. Nsc-102293

9. Tricyclo[3.3.1.13,7]decane, 1-bromo-3,5-dimethyl-

10. 1-bromo-3,5-dimethyltricyclo(3.3.1.13,7)decane

11. 1,3-dimethyl-5-bromoadamantane

12. Einecs 213-378-9

13. Nsc102293

14. 3,5-dimethyladamantylbromide

15. Nciopen2_006758

16. Unii-se68kq68t1

17. Schembl732916

18. 1-bromo-3,5dimethyladamantane

19. Dtxsid00916495

20. 1-bromo-3,5-dimethyl Adamantane

21. Act10950

22. Albb-013818

23. 1-?bromo-?3,5-?dimethyladamantane

24. Stl453470

25. Akos005174005

26. Ac-5959

27. Nsc 102293

28. As-14308

29. Sy042082

30. Adamantane, 1-bromo-3,5-dimethyl-

31. Db-019069

32. Cs-0015436

33. Ft-0633164

34. Ft-0663716

35. Memantine Related Compound D [usp-rs]

36. 222131a

37. A844841

38. Memantine Related Compound D [usp Impurity]

39. 1-bromo-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane

40. Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-3,5-dimethyl-

41. Tricyclo[3.3.1.1~3,7~]decane, 1-bromo-3,5-dimethyl-

42. Tricyclo(3.3.1.1(sup 3,7))decane, 1-bromo-3,5-dimethyl-

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 243.18 g/mol
Molecular Formula C12H19Br
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass242.06701 g/mol
Monoisotopic Mass242.06701 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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