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Chemistry

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Also known as: 37686-84-3, Dironyl, Trans-dihydrolisuride, Teluron, Terguride [inn], Chembl73151

Molecular Formula

C₂₀H₂₈N₄O

Molecular Weight

340.5 g/mol

InChI Key

JOAHPSVPXZTVEP-YXJHDRRASA-N

FDA UNII

21OJT43Q88

1 2D Structure

Terguride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea

2.1.2 InChI

InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1

2.1.3 InChI Key

JOAHPSVPXZTVEP-YXJHDRRASA-N

2.1.4 Canonical SMILES

CCN(CC)C(=O)NC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C

2.1.5 Isomeric SMILES

CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C

2.2 Other Identifiers

2.2.1 UNII

21OJT43Q88

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dironyl

2. Dironyl Maleate (1:1)

3. N-(d-6-methyl-8-isoergolin-1-yl)-n',n'-diethylurea

4. Transdihydrolisuride

5. Vufb 6638

2.3.2 Depositor-Supplied Synonyms

1. 37686-84-3

2. Dironyl

3. Trans-dihydrolisuride

4. Teluron

5. Terguride [inn]

6. Chembl73151

7. Mls000069833

8. S(+)-n,n-diethyl-n'([8alpha]-6-methylergolin-8-yl)urea

9. 21ojt43q88

10. Mysalfon

11. Smr000058934

12. Trans-dihydro Lisuride

13. 1,1-diethyl-3-(6-methyl-8alpha-ergolinyl)urea

14. Transdihydrolisuride

15. 3-[(6ar,9s,10ar)-7-methyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea

16. (+)-terguride

17. Terguridum

18. Tergurida

19. Vufb-6638

20. (5r,8s,10r)-terguride

21. S(+)-terguride

22. Terguridum [latin]

23. Tergurida [spanish]

24. Sh-406

25. (+)-(5r,8s,10r)-terguride

26. Zk-31224

27. 9,10-alpha-dihydrolisuride

28. Unii-21ojt43q88

29. Ncgc00094476-03

30. Einecs 253-624-2

31. Teluron (tn)

32. Cas-37686-84-3

33. Brn 0766582

34. Zk 31224

35. Terguride (jan/inn)

36. Terguride [jan]

37. Terguride [mi]

38. Opera_id_1172

39. Prestwick0_000945

40. Prestwick1_000945

41. Prestwick2_000945

42. Prestwick3_000927

43. Gtpl56

44. Terguride [mart.]

45. 6-methyl-8alpha-(diethylcarbamoylamino)ergoline

46. Terguride [who-dd]

47. Dsstox_cid_25809

48. Dsstox_rid_81146

49. S(+)-n,n-diethyl-n([8alpha]-6-methylergolin-8-yl)urea

50. Dsstox_gsid_45809

51. Bspbio_000834

52. Schembl147259

53. Spbio_003069

54. Bpbio1_000918

55. Dtxsid3045809

56. Chebi:32193

57. 1-((5r,8s,10r)-6-methyl-8-ergolinyl)-3,3-diethylurea

58. N,n-diethyl-n'-(d-6-methyl-10alpha-isoergolin-8-yl)urea

59. Hms1570n12

60. Hms2232h10

61. Zinc3811327

62. Tox21_111283

63. Bdbm50017519

64. Akos037653997

65. Db13399

66. Ks-1464

67. Ncgc00179409-02

68. Ab00514698

69. 8alpha-(3,3-diethylureido)-6-methylergoline

70. D01348

71. 1,1-diethyl-3-(6-methylergolin-8alpha-yl)urea

72. J-523241

73. N,n-dethyl-n'-[(8alpha)-6-methylergoln-8-yl]urea

74. Q7702355

75. 1,1-diethyl-3-(6-methylergolin-8.alpha.-yl)urea

76. Urea, N,n-diethyl-n'-((8-alpha)-6-methylergolin-8-yl)-

77. S(+)-n,n-diethyl-n\'([8alpha]-6-methylergolin-8-yl)urea

78. 1,1-diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-urea

79. 3-[(6ar,9s,10ar)-7-methyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₈N₄O
Molecular Weight	340.5 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	340.22631153 g/mol
Monoisotopic Mass	340.22631153 g/mol
Topological Polar Surface Area	51.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	494
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1