CAS 941-37-7

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CHEMISTRY

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BUILDING BLOCK

4 Suppliers, 4 End Use APIs, 10 Related Intermediates

4 Suppliers
4 End Use APIs
10 Related Intermediates

Chemistry

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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

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 Formula	C₁₂H₁₉Br
Molecular Weight	243.18 g/mol
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	242.06701 g/mol
Monoisotopic Mass	242.06701 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1