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Also known as: 15574-49-9, Ethyl 5-hydroxy-1,2-dimethyl-1h-indole-3-carboxylate, Dimecarbine, Ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate, Dimecarbin, Ethyl 1,2-dimethyl-5-hydroxyindole-3-carboxylate
Molecular Formula
C13H15NO3
Molecular Weight
233.26  g/mol
InChI Key
YTBNTDMBGXAOCG-UHFFFAOYSA-N
FDA UNII
Z927X3UJ2W

CAS 15574-49-9
1 2D Structure

CAS 15574-49-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate
2.1.2 InChI
InChI=1S/C13H15NO3/c1-4-17-13(16)12-8(2)14(3)11-6-5-9(15)7-10(11)12/h5-7,15H,4H2,1-3H3
2.1.3 InChI Key
YTBNTDMBGXAOCG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C
2.2 Other Identifiers
2.2.1 UNII
Z927X3UJ2W
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Dimecarbine

2. Dimekarbin

2.3.2 Depositor-Supplied Synonyms

1. 15574-49-9

2. Ethyl 5-hydroxy-1,2-dimethyl-1h-indole-3-carboxylate

3. Dimecarbine

4. Ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate

5. Dimecarbin

6. Ethyl 1,2-dimethyl-5-hydroxyindole-3-carboxylate

7. Mecarbinate [inn]

8. Mecarbine

9. 1h-indole-3-carboxylic Acid, 5-hydroxy-1,2-dimethyl-, Ethyl Ester

10. Ethyl 1,2-dimethyl-5-hydroxyindole-2-carboxylate

11. Mfcd00451373

12. 5-hydroxy-1,2-dimethyl-1h-indole-3-carboxylic Acid Ethyl Ester

13. Z927x3uj2w

14. Dimecarbin;dimecarbine;dimekarbin

15. Ncgc00160670-01

16. Dimekarbin

17. Dsstox_cid_26289

18. Dsstox_rid_81515

19. Dsstox_gsid_46289

20. Mecarbinato

21. Mecarbinatum

22. Mecarbinatum [inn-latin]

23. Mecarbinato [inn-spanish]

24. Smr001530137

25. Cas-15574-49-9

26. Ba 2676

27. Brn 0193275

28. Unii-z927x3uj2w

29. 1,2-dimethyl-5-hydroxyindole-2-carboxylate Ethyl

30. 5-hydroxy-1,2-dimethylindol-3-carbonsaeureethylester

31. 1,2-dimethyl-3-carbethoxy- 5-hydroxyindole

32. Ec-000.1448

33. Oprea1_078760

34. Oprea1_434116

35. Cbdive_000227

36. 1,2-dimethyl-5-hydroxyindole-3-carboxylate Ethyl

37. 4-22-00-02229 (beilstein Handbook Reference)

38. Ethyl 5-hydroxy-1,2-dimethyl-indole-3-carboxylate

39. Mls004754495

40. Mls006011807

41. F0265-0602

42. Schembl2109102

43. Zinc1652

44. Chembl1881106

45. Dtxsid9046289

46. Amy8970

47. Hms1608h05

48. Hms3655f17

49. Act06257

50. Albb-016100

51. Bcp26910

52. Hy-b0376

53. Tox21_111974

54. Bbl018879

55. S2074

56. Stk140169

57. Akos000271193

58. Tox21_111974_1

59. Ac-1621

60. Ccg-104192

61. Rs-0114

62. Ncgc00160670-03

63. Ncgc00160670-04

64. Sy016493

65. Db-010834

66. Bb 0216474

67. Ft-0637248

68. M2407

69. Sw219644-1

70. En300-15240

71. Ab01566886_01

72. 574e499

73. Ae-641/02016046

74. J-521681

75. Brd-k28405228-001-01-8

76. Q27295159

77. Ethyl 5-hydroxy-1,2-dimethyl-1h-indole-3-carboxylate #

78. F1920-0014

79. 5-hydroxy-1,2-dimethylindole-3-carboxylic Acid Ethyl Ester

80. Methyl 3-ethyl-5-hydroxy-1-methyl-1h-indole-2-carboxylate

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 233.26 g/mol
Molecular Formula C13H15NO3
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass233.10519334 g/mol
Monoisotopic Mass233.10519334 g/mol
Topological Polar Surface Area51.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity294
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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