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Technical details about MolPort-001-783-563, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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

2D Structure

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 Weight 276.4 g/mol
Molecular Formula C19H20N2
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass276.162648646 g/mol
Monoisotopic Mass276.162648646 g/mol
Topological Polar Surface Area8.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 ATC Code

R - Respiratory system

R06 - Antihistamines for systemic use

R06A - Antihistamines for systemic use

R06AX - Other antihistamines for systemic use

R06AX15 - Mebhydrolin


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