Prestwick3_000910

Synopsis, Chemistry

Product Search

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

Other Certificates

Other Suppliers

API REF. PRICE (USD / KG)

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

Also known as: 53179-07-0, 3-(2-methoxyphenoxy)-n-methyl-3-phenylpropan-1-amine, Compound 89218, 3-(2-methoxyphenoxy)-n-methyl-3-phenylpropylamine, 57226-61-6, Dl-n-methyl-3-(o-methoxyphenoxy)-n-methyl-3-phenylpropylamine

Molecular Formula

C₁₇H₂₁NO₂

Molecular Weight

271.35 g/mol

InChI Key

ITJNARMNRKSWTA-UHFFFAOYSA-N

FDA UNII

17NV064B2D

Nisoxetine is a selective norepinephrine reuptake inhibitor (SNRI) developed in the 1970s. It was originally investigated as an antidepressant but has no current clinical applications aside from being a research standard SNRI. It has been used to research obesity and energy balance, and exerts some local analgesia effects.

1 2D Structure

Prestwick3_000910

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine

2.1.2 InChI

InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3

2.1.3 InChI Key

ITJNARMNRKSWTA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2OC

2.2 Other Identifiers

2.2.1 UNII

17NV064B2D

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(2-methoxyphenoxy)-n-methyl-3-phenylpropylamine

2. 3-(o-methoxyphenoxy)-n-methyl-3-phenylpropylamine

3. Dl-n-methyl-3-(o-methoxyphenoxy)-n-methyl-3-phenylpropylamine

4. Lilly 135252

5. Lilly 94939

6. Ly 135252

7. Ly 94939

8. Ly-135252

9. N-methyl-gamma-(2-methylphenoxy)phenylpropanolamine

10. Nisoxetine Hydrochloride

11. Nisoxetine Hydrochloride, (+-)-isomer

12. Nisoxetine, (+-)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 53179-07-0

2. 3-(2-methoxyphenoxy)-n-methyl-3-phenylpropan-1-amine

3. Compound 89218

4. 3-(2-methoxyphenoxy)-n-methyl-3-phenylpropylamine

5. 57226-61-6

6. Dl-n-methyl-3-(o-methoxyphenoxy)-n-methyl-3-phenylpropylamine

7. Nsc-283481

8. 3-(o-methoxyphenoxy)-n-methyl-3-phenylpropylamine

9. N-methyl-gamma-(2-methylphenoxy)phenylpropanolamine

10. Chembl295467

11. Chebi:73410

12. 17nv064b2d

13. Benzenepropanamine, Gamma-(2-methoxyphenoxy)-n-methyl-

14. Compound 89218; Nsc 283481

15. Ncgc00015715-04

16. Nisoxetine Inhibitor

17. Dsstox_cid_25175

18. Dsstox_rid_80724

19. Dsstox_gsid_45175

20. Nisoxetina

21. Nisoxetinum

22. Nisoxetine [usan:inn]

23. Cas-53179-07-0

24. Ly-94939

25. Unii-17nv064b2d

26. Nsc 283481

27. Ly 94939

28. Nisoxetine [inn]

29. Antioxidant1425

30. Nisoxetine (usan/inn)

31. Prestwick0_000910

32. Prestwick1_000910

33. Prestwick2_000910

34. Prestwick3_000910

35. Nisoxetine [usan]

36. Lopac0_000901

37. Bspbio_000760

38. Compound-89218

39. Schembl124289

40. Spbio_002959

41. Bpbio1_000836

42. Gtpl4637

43. Dtxsid0045175

44. Bdbm22417

45. Hms2089k13

46. Tox21 110203

47. Tox21_110203

48. Nsc283481

49. Pdsp1_000507

50. Pdsp2_000505

51. Tox21_110203_1

52. Ccg-204983

53. Db09186

54. Sdccgsbi-0050876.p002

55. Ncgc00015715-03

56. Ncgc00015715-05

57. Ncgc00015715-06

58. Ncgc00015715-08

59. Ncgc00015715-15

60. Ncgc00024945-02

61. Ncgc00024945-03

62. As-16468

63. Ab00514644

64. D05173

65. Ab00514644-07

66. N-methyl 3(o-methoxyphenoxy)-3-phenylpropylamine

67. N-methyl 3-(o-methoxyphenoxy)-3-phenylpropylamine

68. Q906885

69. [3-(2-methoxyphenoxy)-3-phenylpropyl](methyl)amine

70. N-methyl-3-phenyl-3-(o-methoxyphenoxy)-propylamine

71. Brd-a95696066-003-03-9

72. Brd-a95696066-003-06-2

73. (+/-)-3-(o-methoxyphenoxy)-n-methyl-3-phenylpropylamine

74. Benzenepropanamine, .gamma.-(2-methoxyphenoxy)-n-methyl-, (+/-)-

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₁NO₂
Molecular Weight	271.35 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	271.157228913 g/mol
Monoisotopic Mass	271.157228913 g/mol
Topological Polar Surface Area	30.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	253
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	1