(+/-)-1-Phenyl-2,3,4,5-tetrahydro-(1H)-3-benzazepine-7,8-diol hydrochloride

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(+/-)-1-Phenyl-2,3,4,5-tetrahydro-(1H)-3-benzazepine-7,8-diol hydrochloride

Also known as: 62717-42-4, Skf 38393 hydrochloride, Skf38393 hcl, Skf-38393 hydrochloride, Skf 38393 (hydrochloride), (+/-)-skf-38393 hydrochloride

Molecular Formula

C₁₆H₁₈ClNO₂

Molecular Weight

291.77 g/mol

InChI Key

YEWHJCLOUYPAOH-UHFFFAOYSA-N

FDA UNII

WIV5R2G7VP

A selective D1 dopamine receptor agonist used primarily as a research tool.

1 2D Structure

(+/-)-1-Phenyl-2,3,4,5-tetrahydro-(1H)-3-benzazepine-7,8-diol hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrochloride

2.1.2 InChI

InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H

2.1.3 InChI Key

YEWHJCLOUYPAOH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.Cl

2.2 Other Identifiers

2.2.1 UNII

WIV5R2G7VP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1h-3-benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-

2. 2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1h-3-benzazepine

3. R-sk And F 38393

4. Rsk And F 38393

5. Sk And F 38393

6. Sk And F-38393

7. Sk And F38393

8. Skf 38393

9. Skf 38393 A

10. Skf 38393-a

11. Skf 38393a

12. Skf-38393

13. Skf38393

2.3.2 Depositor-Supplied Synonyms

1. 62717-42-4

2. Skf 38393 Hydrochloride

3. Skf38393 Hcl

4. Skf-38393 Hydrochloride

5. Skf 38393 (hydrochloride)

6. (+/-)-skf-38393 Hydrochloride

7. Skf-38393 Hcl

8. Skf-38393a

9. Wiv5r2g7vp

10. 1h-3-benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, Hydrochloride

11. 2-phenyl-4-azabicyclo[5.4.0]undeca-7,9,11-triene-9,10-diol

12. (r)-skf 38393 (hydrochloride)

13. Nsc-320959

14. 81633-77-4

15. 62717-42-4 (hcl)

16. 2,3,4,5-tetrahydro-1-phenyl-1h-3-benzazepine-7,8-diol Hydrochloride

17. (+/-)-1-phenyl-2,3,4,5-tetrahydro-(1h)-3-benzazepine-7,8-diol Hydrochloride

18. (+/-)-skf-38393 Hydrochloride;skf-38393a

19. Chembl542700

20. Sr-01000075378

21. Skf 38393a

22. Unii-wiv5r2g7vp

23. Skf-38393hydrochloride

24. C16h17no2.hcl

25. Mls000859931

26. Skf 38393 Hcl

27. Schembl3425787

28. (y)-skf-38393 Hydrochloride

29. Dtxsid20936175

30. (?)-skf-38393 Hydrochloride

31. Bcp28880

32. Ex-a3563

33. Tox21_500436

34. 1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol Hydrochloride

35. Hy-12520a

36. Nsc320959

37. Akos016012197

38. Ccg-221740

39. Cs-5354

40. Lp00436

41. Nsc 320959

42. Ncgc00093856-01

43. Ncgc00261121-01

44. Ac-32754

45. As-16874

46. Smr000326792

47. D-047

48. Eu-0100436

49. S7993

50. (+/-)-skf-38393 Hydrochloride, Crystalline

51. C75947

52. ( Inverted Question Mark)-skf-38393 Hydrochloride

53. Sr-01000075378-1

54. ( Inverted Exclamation Marka)-skf38393 Hydrochloride

55. ( Inverted Exclamation Marka)-skf-38393 Hydrochloride

56. (+/-)-skf-38393 Hydrochloride D1 Dopamin E Receptor

57. (+/-)-skf-38393 Hydrochloride, Crystalline, >=98% (hplc)

58. (+/-)-1-phenyl-2,3,4-tetrahydro(1h)-3-benzapezine-7,8-diol Hcl

59. 5-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol;hydrochloride

60. (+/-)-1-phenyl-2,3,4,5-tetrahydro-(1h)-3-benzazepine-7,8- Diol Hydrobromide

61. (+/-)-1-phenyl-2,3,4-tetrahydro(1h)-3-benzapezine-7,8-diol Hydrochloride

62. 1h-3-benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, Hydrochloride (1:1)

63. 1h-3-benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-,?hydrochloride (1:1)

64. ( Inverted Question Mark)-1-phenyl-2,3,4,5-tetrahydro-(1h)-3-benzazepine-7,8-diol Hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₈ClNO₂
Molecular Weight	291.77 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	291.1026065 g/mol
Monoisotopic Mass	291.1026065 g/mol
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	291
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2