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CAS 941-37-7
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

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
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