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Chemistry

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Also known as: 6272-74-8, Lapirium chloride, Emcol e-607, 1-(2-((2-(dodecanoyloxy)ethyl)amino)-2-oxoethyl)pyridin-1-ium chloride, Nsc-33659, Lapyrium chloride [usan]

Molecular Formula

C₂₁H₃₅ClN₂O₃

Molecular Weight

399.0 g/mol

InChI Key

HPKFFZSXDWPVLX-UHFFFAOYSA-N

FDA UNII

732T8851QH

1 2D Structure

Lapyrium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl dodecanoate;chloride

2.1.2 InChI

InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23;/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3;1H

2.1.3 InChI Key

HPKFFZSXDWPVLX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

732T8851QH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Lapyrium

2.3.2 Depositor-Supplied Synonyms

1. 6272-74-8

2. Lapirium Chloride

3. Emcol E-607

4. 1-(2-((2-(dodecanoyloxy)ethyl)amino)-2-oxoethyl)pyridin-1-ium Chloride

5. Nsc-33659

6. Lapyrium Chloride [usan]

7. N-(lauroylcolaminoformylmethyl)pyridinium Chloride

8. N-(acylcolaminoformylmethyl)pyridinum Chloride

9. Lapirium Chloride [inn]

10. N'-lauroylcolaminoformylmethyl Pyridinium Chloride

11. N-(colaminoformylmethyl)pyridinium Chloride Laurate

12. Emcol E 607l; Lapirium Chloride

13. 1-(((2-hydroxyethyl)carbamoyl)methyl)pyridinium Chloride Laurate (ester)

14. Pyridinium, 1-(2-oxo-2-((2-((1-oxododecyl)oxy)ethyl)amino)ethyl)-, Chloride

15. 732t8851qh

16. 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl Dodecanoate;chloride

17. Lapirium Chloride (inn)

18. N-((n-(2-dodecanoyloxyethyl)carbamoyl)methyl)pyridinium Chloride

19. E-607

20. Lapyrium Chloride (usan)

21. Caswell No. 519

22. Lapirii Chloridum

23. Cloruro De Lapirio

24. Chlorure De Lapirium

25. Lapirii Chloridum [inn-latin]

26. Cloruro De Lapirio [inn-spanish]

27. Chlorure De Lapirium [inn-french]

28. Einecs 228-464-1

29. Epa Pesticide Chemical Code 069131

30. N-[[n-(2-dodecanoyloxyethyl)carbamoyl]methyl]pyridinium Chloride

31. Lapyrium Cl

32. 1-[[(2-hydroxyethyl)carbamoyl]methyl]pyridinium Chloride Laurate (ester)

33. Unii-732t8851qh

34. N-(lauroyl Colamino Formylmethyl)pyridinium Chloride

35. Emcol E607

36. Emcol E 607

37. Pyridinium, 1-(2-oxo-2-((2-((1-oxododecyl)oxy)ethyl)-amino)ethyl)-, Chloride

38. Schembl138621

39. Lapyrium Chloride [mi]

40. N-(lauryl Colamino Formyl Methyl) Pyridinium Chloride

41. Chembl1201787

42. Dtxsid5042085

43. Lapyrium Chloride [inci]

44. Pyridinium, Chloride, Dodecanoate

45. 1-(2-hydroxyethyl)carbamoyl Methyl Pyridinium Chloride Laurate

46. Lapirium Chloride [who-dd]

47. 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl Dodecanoate,chloride

48. Nsc33659

49. Pyridinium, 1-(2-hydroxyethylcarbamoylmethyl)-, Chloride, Dodecanoate

50. Wln: T6kj A1vm2ov11 &g

51. 1-(2-oxo-2-((2-((1-oxododecyl)oxy)ethyl)amino)ethyl)pyridinium Chloride

52. Akos015896197

53. Pyridinium, Chloride, Laurate (ester)

54. Lapyrium Chloride [orange Book]

55. Pyridinium, 1-(((2-hydroxyethyl)carbamoyl)methyl)-, Chloride, Laurate (ester)

56. Ft-0659630

57. Virac Rex Component Lapyrium Chloride

58. D04669

59. Lapyrium Chloride Component Of Virac Rex

60. N-(acylcolaminoformylmethyl)pyridinium Chloride

61. A833955

62. N-(lauroylcolamenoformylmethyl)pyridinium Chloride

63. N-(lauroylcolamino Formylmethyl)pyridinium Chloride

64. W-104962

65. Q27266118

66. 1-((2-dodecanoyloxyethylcarbamoyl)methyl)pyridinium Chloride

67. Lauric Acid, Ester With 1-[[(2-hydroxyethyl)carbamoyl]methyl]pyridinium Chloride

68. Pyridinium, 1-(2-oxo-2-((2-((1-oxododecyl)oxy)ethyl)amino)ethyl)-, Chloride (1:1)

69. 1341-07-7

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₅ClN₂O₃
Molecular Weight	399.0 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Exact Mass	398.2336207 g/mol
Monoisotopic Mass	398.2336207 g/mol
Topological Polar Surface Area	59.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	368
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	2