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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Tropine, 8-methyl-8-azabicyclo[3.2.1]octan-3-ol, 120-29-6, 3-tropanol, 7432-10-2, Tropanol

Molecular Formula

C₈H₁₅NO

Molecular Weight

141.21 g/mol

InChI Key

CYHOMWAPJJPNMW-UHFFFAOYSA-N

tropin is a natural product found in Datura stramonium and Physochlaina orientalis with data available.

1 2D Structure

Pseudotropine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-methyl-8-azabicyclo[3.2.1]octan-3-ol

2.1.2 InChI

InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3

2.1.3 InChI Key

CYHOMWAPJJPNMW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C2CCC1CC(C2)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Tropine

2. Tropine Hydrobromide, (endo)-isomer

3. Tropine Hydrochloride, (endo)-isomer

4. Tropine Hydrochloride, (exo)-isomer

5. Tropine, (exo)-isomer

2.2.2 Depositor-Supplied Synonyms

1. Tropine

2. 8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3. 120-29-6

4. 3-tropanol

5. 7432-10-2

6. Tropanol

7. 3.alpha.-tropanol

8. N-tropine (trans)

9. 8-azabicyclo[3.2.1]octan-3-ol, 8-methyl-, Endo-

10. Nsc43870

11. Nsc43871

12. Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

13. 8-azabicyclo(3.2.1)octanol, 8-methyl-

14. Mfcd00005551

15. 2,3-dihydro-3.alpha.-hydroxytropidine

16. 1.alpha.h,5.alpha.h-tropan-3.alpha.-ol

17. 2,3-dihydro-3alpha-hydroxytropidine

18. Nsc 43870

19. Rel-(1r,3s,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

20. 3.beta.-tropanol

21. Endo-8-methyl-8-azabicyclo(3.2.1)octan-3-ol

22. 8-azabicyclo[3.2.1]octan-3-ol, 8-methyl-, (3-endo)-

23. 1-alpha-h,5-alpha-h-tropan-3-alpha-ol

24. 8-azabicyclo[3.2.1]octanol, 8-methyl-

25. 8-azabicyclo(3.2.1)octan-3-ol, 8-methyl-, (3-endo)-

26. Nsc-43870

27. Nsc-43871

28. Tropan-3-ol

29. 8-azabicyclo[3.2.1]octan-3-ol, 8-methyl-, Exo-

30. Prestwick0_001077

31. Prestwick1_001077

32. Prestwick2_001077

33. Prestwick3_001077

34. Bmse000974

35. Atropine Impurity 8

36. Oprea1_099397

37. Schembl38978

38. Bspbio_001094

39. Spbio_002997

40. Bpbio1_001204

41. Chembl113555

42. Dtxsid70859224

43. Hms1571g16

44. Hms1661l14

45. Hms2098g16

46. Hy-n7061

47. Nsc241183

48. Stl377773

49. Akos005267127

50. Akos015955557

51. Ac-1979

52. Ac-1980

53. Ccg-208541

54. Cs-w016435

55. Nsc-241183

56. Ncgc00179307-01

57. As-13524

58. As-13829

59. Sy005218

60. 1alphah,5alphah-tropan-3alpha-ol (8ci)

61. N-methyl-8-azabicyclo[3.2.1]octan-3-ol

62. 8-methyl-8-aza-bicyclo[3.2.1]octan-3-ol

63. Ab00514033

64. Am20080142

65. Bb 0259527

66. Cs-0369298

67. Ft-0600514

68. Ft-0602520

69. Ft-0660307

70. Ft-0675703

71. C00729

72. C02066

73. 2,3-dihydro-3alpha-hydroxy-8-methylnortropidine

74. 8-methyl-8-azabicyclo[3.2.1]octan-3-ol, Endo-

75. Endo-8-azabicyclo[3.2.1]-3-octanol, 8-methyl-

76. Sr-05000002205

77. Q-201903

78. Sr-05000002205-2

79. W-108254

80. F0001-2567

81. 0ac9fe9a-c292-490c-a504-ea261c257333

2.3 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅NO
Molecular Weight	141.21 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	141.115364102 g/mol
Monoisotopic Mass	141.115364102 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	123
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