NCGC00024780-01

Synopsis, Chemistry

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Also known as: L-nmma acetate, 53308-83-1, L-nmma, Ng-monomethyl-l-arginine acetate, Targinine acetate, Tilarginine acetate [usan]

Molecular Formula

C₉H₂₀N₄O₄

Molecular Weight

248.28 g/mol

InChI Key

IKPNWIGTWUZCKM-JEDNCBNOSA-N

FDA UNII

2FL3530AF2

1 2D Structure

NCGC00024780-01

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

acetic acid;(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid

2.1.2 InChI

InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1

2.1.3 InChI Key

IKPNWIGTWUZCKM-JEDNCBNOSA-N

2.1.4 Canonical SMILES

CC(=O)O.CN=C(N)NCCCC(C(=O)O)N

2.1.5 Isomeric SMILES

CC(=O)O.CN=C(N)NCCC[C@@H](C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

2FL3530AF2

2.3 Synonyms

2.3.1 MeSH Synonyms

1. L-n(g)-mono-methylarginine Acetate

2. N(g)-monomethylarginine Acetate

2.3.2 Depositor-Supplied Synonyms

1. L-nmma Acetate

2. 53308-83-1

3. L-nmma

4. Ng-monomethyl-l-arginine Acetate

5. Targinine Acetate

6. Tilarginine Acetate [usan]

7. L-nmma (acetate)

8. Ng-methyl-l-arginine Acetate Salt

9. Ano-1020

10. Ng-methylarginine Acetate

11. 2fl3530af2

12. L-ornithine, N5-[imino(methylamino)methyl]-[cas]

13. N-omega-monomethyl-l-arginine Acetate

14. (e)-nw'-methyl-l-arginine Compound With Acetic Acid (1:1)

15. Tilarginine Acetate (usan)

16. Dsstox_cid_25780

17. Dsstox_rid_81122

18. Dsstox_gsid_45780

19. (2s)-2-amino-5-((methylcarbamimidoyl)amino)pentanoic Acid Monoacetate

20. Smr000449329

21. Cas-53308-83-1

22. Ncgc00024780-01

23. Ncgc00024780-04

24. Unii-2fl3530af2

25. N(g)-methyl-l-arginine Acetate

26. Ncgc00094091-01

27. Ano 1020

28. Nomega-monomethyl-l-arginine Acetate

29. Mfcd00069311

30. Ng-monomethyl-l-arginineacetate

31. Methylarginine Acetate

32. L-ng-monomethylarginine, Acetate Salt (l-nmma)

33. H-arg(me)-oh.acoh

34. Mls000758278

35. Mls001401412

36. Mls002172472

37. N5-(imino(methylamino)methyl)-l-ornithine Monoacetate

38. Schembl1321022

39. Acetic Acid;(2s)-2-amino-5-[(n'-methylcarbamimidoyl)amino]pentanoic Acid

40. C7h16n4o2.ch3co2h

41. Chembl1256175

42. Dtxsid7045780

43. Nomega-methyl-l-arginine Acetate

44. L-ornithine, N5-(imino(methylamino)methyl)-, Monoacetate

45. Hms2051m15

46. Hms2235n20

47. Hms3262e22

48. Tox21_111246

49. Tox21_113520

50. Tox21_113578

51. Tox21_500750

52. Hy-18732a

53. S7920

54. N/omega-monomethyl-l-arginine Acetate

55. Akos024458640

56. Ng-methylarginine Acetate [mi]

57. Ccg-100805

58. Ccg-222054

59. Lp00750

60. Nc00055

61. N(omega)-monomethyl-l-arginine Acetate

62. Ncgc00261435-01

63. B6444

64. Cs-0014213

65. Eu-0100750

66. M1365

67. D09018

68. D91492

69. M 7033

70. Sr-01000597858

71. Ng-methyl-l-arginine Acetate Salt, >=98% (tlc)

72. Sr-01000597858-1

73. Q27254685

74. L-ornithine, N(sup 5)-(imino(methylamino)methyl)-, Monoacetate

75. (s)-2-amino-5-(3-methylguanidino)pentanoic Acid Compound With Acetic Acid (1:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₂₀N₄O₄
Molecular Weight	248.28 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	248.14845513 g/mol
Monoisotopic Mass	248.14845513 g/mol
Topological Polar Surface Area	151 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	224
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2