MolPort-001-835-820

Synopsis, Chemistry

ANALYTICAL SOLUTION(s)

1 Analytical Solutions

1 Analytical Solutions

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Also known as: Troger's base, 529-81-7, 14645-24-0, (-)-troger's base, 21451-74-1, 2,8-dimethyl-6h,12h-5,11-methanodibenzo[b,f][1,5]diazocine

Molecular Formula

C₁₇H₁₈N₂

Molecular Weight

250.34 g/mol

InChI Key

SXPSZIHEWFTLEQ-UHFFFAOYSA-N

1 2D Structure

MolPort-001-835-820

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,13-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

2.1.2 InChI

InChI=1S/C17H18N2/c1-12-3-5-16-14(7-12)9-18-11-19(16)10-15-8-13(2)4-6-17(15)18/h3-8H,9-11H2,1-2H3

2.1.3 InChI Key

SXPSZIHEWFTLEQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC2=C(C=C1)N3CC4=C(C=CC(=C4)C)N(C2)C3

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 2,8-dimethyl-6h,12h-5,11-methanodibenzo(b,f)(1,5)-diazocine

2.2.2 Depositor-Supplied Synonyms

1. Troger's Base

2. 529-81-7

3. 14645-24-0

4. (-)-troger's Base

5. 21451-74-1

6. 2,8-dimethyl-6h,12h-5,11-methanodibenzo[b,f][1,5]diazocine

7. (-)-troger/'s Base

8. (5s,11s)-(+)-2,8-dimethyl-6h,12h-5,11-methanodibenzo[b,f][1,5]diazocine

9. (+)-troger's Base

10. 2,8-dimethyl-6h,12h-5,11-methanodibenzo(b,f)(1,5)diazocine

11. 6h,12h-5,11-methanodibenzo(b,f)(1,5)diazocine, 2,8-dimethyl-

12. 5,13-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

13. 72151-03-2

14. Nsc 68211

15. 6h,11-methanodibenzo[b,f](1,5)diazocine, 2,8-dimethyl-

16. 6h,11-methanodibenzo[b,f][1,5]diazocine, 2,8-dimethyl-

17. 6h,12h-5,11-methanodibenzo[b,f][1,5]diazocine, 2,8-dimethyl-

18. Troeger Base

19. Tr Ger's Base

20. (?)-troger's Base

21. Troger's Base, 98%

22. (-)-trogersbase

23. Unii-sp9uur2hg4

24. Sp9uur2hg4

25. (-)-tr Ouml Ger's Base

26. Oprea1_285718

27. Cbdive_011389

28. Mls000105151

29. Schembl2759894

30. Chembl1303327

31. Dtxsid30200950

32. Hms1579o10

33. Hms2376o17

34. Zinc119416

35. Nsc68211

36. Ccg-15765

37. Nsc-68211

38. Stk029423

39. Akos000613560

40. Smr000055080

41. Db-042847

42. Db-066514

43. Cs-0376657

44. Ft-0637121

45. Ft-0701586

46. 2,12h-5,11-methanodibenzo[b,f](1,5)diazocine

47. 3-(pyrrolidin-1-yl)benzene-1-sulfonyl Chloride?

48. Ag-205/06529009

49. Q410493

50. Sr-01000408172

51. Wln: T C66 K66 A Bn Jn&t&tj F1 N1

52. J-008224

53. J-014078

54. Sr-01000408172-1

55. Brd-k21537419-001-07-1

56. (+)-tr??ger's Base, For Chiral Derivatization, >=99.0%

57. (-)-tr??ger's Base, For Chiral Derivatization, >=99.0%

58. ( )-2,8-dimethyl-6h,12h-5,11-methanodibenzo[b,f][1,5]diazocine

59. 2,8-dimethyl-6,12-dihydro-5,11-methanodibenzo[b,f][1,5]diazocine

60. 2,8-dimethyl-6h,12h-5,11-methano-dibenzo[b,f][1,5]diazocine

61. 2,8-dimethyl-6h,12h-5,11-methanodibenzo(b,f)(1,5)-diazocine

62. (5r,11r)-2,8-dimethyl-6h,12h-5,11-methanodibenzo[b,f][1,5]diazocine

63. 5,11-methano-2,8-dimethyl-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine

64. 5,13-dimethyl-1,9-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadeca-2,4,6,10,12,14-hexaene

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₈N₂
Molecular Weight	250.34 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	250.146998583 g/mol
Monoisotopic Mass	250.146998583 g/mol
Topological Polar Surface Area	6.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	310
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