MolPort-001-783-563

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Also known as: 524-81-2, Mebhydroline, 5-benzyl-2-methyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole, Bexidal, 5-benzyl-2-methyl-3,4-dihydro-1h-pyrido[4,3-b]indole, 9suk9b7xvy

Molecular Formula

C₁₉H₂₀N₂

Molecular Weight

276.4 g/mol

InChI Key

FQQIIPAOSKSOJM-UHFFFAOYSA-N

FDA UNII

9SUK9B7XVY

1 2D Structure

MolPort-001-783-563

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

2.1.2 InChI

InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3

2.1.3 InChI Key

FQQIIPAOSKSOJM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4

2.2 Other Identifiers

2.2.1 UNII

9SUK9B7XVY

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5-benzyl-1,3,4,5-tetrahydro-2-methyl-2h-pyrido(4,3-b)indole

2. Mebhydroline

2.3.2 Depositor-Supplied Synonyms

1. 524-81-2

2. Mebhydroline

3. 5-benzyl-2-methyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole

4. Bexidal

5. 5-benzyl-2-methyl-3,4-dihydro-1h-pyrido[4,3-b]indole

6. 9suk9b7xvy

7. Mebhydrolin (inn)

8. Nsc-757830

9. 5-benzyl-1,3,4,5-tetrahydro-2-methyl-2h-pyrido(4,3-b)indole

10. Mebhydrolin [inn]

11. 3-benzyl-6-methyl-1,2,3,4-tetrahydro-.gamma.-carboline

12. Mebhidrolina

13. Mebhydrolinum

14. Mebhydrolin [inn:ban]

15. Mebhydroline [inn-french]

16. Mebhydrolinum [inn-latin]

17. Mebhidrolina [inn-spanish]

18. Einecs 208-364-4

19. Unii-9suk9b7xvy

20. 5-benzyl-1,3,4,5-tetrahydro-2-methyl-2h-pyrido[4,3-b]indole

21. 1h-pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-

22. Bexidal (tn)

23. Bas 07119675

24. Enamine_003214

25. Mebhydroline [mi]

26. Mebhydrolin [mart.]

27. Oprea1_493964

28. Schembl29802

29. Mebhydrolin [who-dd]

30. Mls006011579

31. Zinc1651

32. Chembl1625607

33. Dtxsid5048558

34. Hy-b1303a

35. 5-benzyl-2-methyl-1h,2h,3h,4h,5h-pyrido[4,3-b]indole

36. Chebi:135144

37. Hms1403c02

38. Ccg-25295

39. Stl554133

40. Akos000115947

41. Db13808

42. Nsc 757830

43. Ncgc00085849-02

44. Smr000097302

45. St077696

46. Sbi-0051644.p002

47. Ab00053596

48. Cs-0013654

49. Ft-0737366

50. En300-02843

51. D08161

52. Ab00053596_15

53. 524m812

54. Q1994982

55. Brd-k29713308-077-02-5

56. Brd-k29713308-077-03-3

57. Brd-k29713308-077-04-1

58. Z56841337

59. 5-benzyl-2-methyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole #

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₀N₂
Molecular Weight	276.4 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	276.162648646 g/mol
Monoisotopic Mass	276.162648646 g/mol
Topological Polar Surface Area	8.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	350
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