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MolPort-002-052-034

MolPort-002-052-034

Synopsis, Chemistry

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Also known as: Clorgyline, 17780-72-2, Chlorgyline, Clorgilinum, Clorgilina, M and b 9302

Molecular Formula

C₁₃H₁₅Cl₂NO

Molecular Weight

272.17 g/mol

InChI Key

BTFHLQRNAMSNLC-UHFFFAOYSA-N

FDA UNII

LYJ16FZU9Q

An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.

1 2D Structure

MolPort-002-052-034

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine

2.1.2 InChI

InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3

2.1.3 InChI Key

BTFHLQRNAMSNLC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C

2.2 Other Identifiers

2.2.1 UNII

LYJ16FZU9Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Chlorgyline

2. Clorgilin

3. Clorgyline

2.3.2 Depositor-Supplied Synonyms

1. Clorgyline

2. 17780-72-2

3. Chlorgyline

4. Clorgilinum

5. Clorgilina

6. M And B 9302

7. Clorgiline [inn]

8. M & B 9302

9. N-methyl-n-propargyl-3-(2,4-dichlorophenoxy)propylamine

10. N-(3-(2,4-dichlorophenoxy)propyl)-n-methyl-2-propynylamine

11. M&b 9302

12. Clorgiline (inn)

13. Lyj16fzu9q

14. N-(3-(2,4-dichlorophenoxy)propyl)-n-methylprop-2-yn-1-amine

15. Chembl8706

16. Chebi:3763

17. N-[3-(2,4-dichlorophenoxy)propyl]-n-methylprop-2-yn-1-amine

18. 2-propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-n-methyl-

19. 2-propynylamine, N-(3-(2,4-dichlorophenoxy)propyl)-n-methyl-

20. Clorgilinum [inn-latin]

21. Clorgilina [inn-spanish]

22. 2-propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-n-methyl- (9ci)

23. Unii-lyj16fzu9q

24. Cas-17780-75-5

25. Brn 1976758

26. 2-propyn-1-amine, N-[3-(2,4-dichlorophenoxy)propyl]-n-methyl-, Hydrochloride

27. 3-(2,4-dichlorophenoxy)-n-methyl-n-prop-2-ynylpropan-1-amine

28. Clorgiline [inn:ban]

29. Prestwick0_000344

30. Prestwick1_000344

31. Prestwick2_000344

32. Prestwick3_000344

33. Lopac-m-3778

34. Lopac0_000746

35. Schembl61914

36. Bspbio_000407

37. Us8633208, Clorgyline

38. Spbio_002328

39. Bpbio1_000449

40. Gtpl6636

41. Dtxsid3048445

42. Bdbm15581

43. Zinc22200090

44. Ccg-204831

45. Db04017

46. Sdccgsbi-0050724.p003

47. Ncgc00015669-01

48. Ncgc00015669-02

49. Ncgc00015669-03

50. Ncgc00015669-04

51. Ncgc00015669-11

52. Ncgc00162235-01

53. M&b-9302

54. Sbi-0050724.p002

55. A20772

56. D03248

57. L001342

58. Q2889652

59. Brd-k73251053-003-03-2

60. Brd-k73251053-003-13-1

61. [3-(2,4-dichloro-phenoxy)-propyl]-methyl-prop-2-ynyl-amine

62. [3-(2,4-dichlorophenoxy)propyl](methyl)prop-2-yn-1-ylamine

63. N-[3-(2,4-dichlorophenoxy)propyl]-n-methyl-prop-2-yn-1-amine

64. 3-(2,4-dichlorophenoxy)-n-methyl-n-prop-2-ynyl-propan-1-amine

65. N-[(2,6-dichloro-4-methyl-3-pyridyl)carbonyl]-n-(3,4-dichlorophenyl)urea

66. Clg

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅Cl₂NO
Molecular Weight	272.17 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	271.0530695 g/mol
Monoisotopic Mass	271.0530695 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	263
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antidepressive Agents

Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems. (See all compounds classified as Antidepressive Agents.)

Monoamine Oxidase Inhibitors

A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414) (See all compounds classified as Monoamine Oxidase Inhibitors.)