MolPort-001-742-600

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Also known as: 300-08-3, Arecoline hbr, Taeniolin, Arecoline bromide, Methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide, Arecoline (hydrobromide)

Molecular Formula

C₈H₁₄BrNO₂

Molecular Weight

236.11 g/mol

InChI Key

AXOJRQLKMVSHHZ-UHFFFAOYSA-N

FDA UNII

24S79B9CX7

1 2D Structure

MolPort-001-742-600

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide

2.1.2 InChI

InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H

2.1.3 InChI Key

AXOJRQLKMVSHHZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC=C(C1)C(=O)OC.Br

2.2 Other Identifiers

2.2.1 UNII

24S79B9CX7

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 300-08-3

2. Arecoline Hbr

3. Taeniolin

4. Arecoline Bromide

5. Methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate Hydrobromide

6. Arecoline (hydrobromide)

7. Mfcd00039041

8. Nsc-31750

9. 24s79b9cx7

10. Methyl 1-methyl-3,6-dihydro-2h-pyridine-5-carboxylate,hydrobromide

11. Mls000028840

12. Arekolinhydrobromid

13. Arekolinhydrobromid [german]

14. Nsc31750

15. Sr-01000075307

16. Smr000058258

17. Einecs 206-087-3

18. Nsc 31750

19. Arecoline Hydrobromide [nf]

20. Esterase

21. Unii-24s79b9cx7

22. Prestwick_958

23. Oleyllinoleate

24. Methyl 1,2,5,6-tetrahydro-1-methylnicotinate Hydrobromide

25. Methyl N-methyl-1,2,5,6-tetrahydronicotinate Hydrobromide

26. N-methyltetrahydronicotinic Acid Methyl Ester Hydrobromide

27. Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, Hydrobromide

28. 3-pyridinecarboxylic Acid, 1,2,5,6-tetrahydro-1-methyl-, Methyl Ester, Hydrobromide

29. Areciline Hydrochloride,(s)

30. Mls002222282

31. Arecoline, Hydrobromide

32. Schembl527735

33. Spectrum1500680

34. Chembl449209

35. Dtxsid9075379

36. Hms1569a06

37. Hms1921c10

38. Pharmakon1600-01500680

39. Arecoline Hydrobromide [mi]

40. Bcp02923

41. Hy-b0489

42. Tox21_500049

43. 3-pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1-methyl-, Methyl Ester

44. Ccg-38354

45. Nsc757418

46. S2614

47. Akos009031332

48. Ac-8048

49. Bcp9000314

50. Lp00049

51. Nsc-757418

52. Ps-7647

53. 3-pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1-methyl-, Methyl Ester, Hydrobromide

54. Nicotinic Acid, 1,2,5,6-tetrahydro-1-methyl-, Methyl Ester, Hydrobromide

55. Wln: T6n Cutj A1 Cvo1 & Gh

56. Ncgc00093563-01

57. Ncgc00093563-02

58. Ncgc00093563-03

59. Ncgc00093563-04

60. Ncgc00093563-05

61. Ncgc00093563-06

62. Ncgc00260734-01

63. Sy057191

64. Bcp0726000295

65. A0523

66. Am20090404

67. Eu-0100049

68. Ft-0628354

69. Ft-0662274

70. Sw197045-3

71. A 6134

72. Q-100382

73. Sr-01000075307-1

74. Sr-01000075307-3

75. Sr-01000075307-8

76. Q27253878

77. Sr-01000075307-10

78. Sr-01000075307-11

79. Methyl N-methyl-1,5,6-tetrahydronicotinate Hydrobromide

80. Arecoline Hydrobromide, Vetranal(tm), Analytical Standard

81. Methyl 1,5,6-tetrahydro-1-methylnicotinate, Hydrobromide

82. Nicotinic Acid,2,5,6-tetrahydro-1-methyl-, Methyl Ester, Hydrobromide

83. 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylic Acid Methyl Ester Hydrobromide

84. 3-pyridinecarboxylic Acid,2,5,6-tetrahydro-1-methyl-, Methyl Ester, Hydrobromide

85. 7-amino-3-hydroxymethyl-3-cephem-4-carbonsaeure-gamma-lacton--p-toluolsulfat

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₄BrNO₂
Molecular Weight	236.11 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	235.02079 g/mol
Monoisotopic Mass	235.02079 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	187
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	2