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Methenamine Mandelate
Also known as: 587-23-5, Hexydaline, Hexamethylenetetramine mandelate, Mandacon, Hexamine mandelate, Hexamethylenamine mandelate
Molecular Formula
C14H20N4O3
Molecular Weight
292.33  g/mol
InChI Key
UXNFIJPHRQEWRQ-UHFFFAOYSA-N
FDA UNII
695N30CINR

Methenamine Mandelate is an organic salt containing a one to one ratio of methenamine, a heterocyclic organic compound, and mandelic acid, an aromatic alpha hydroxy acid, used in the treatment of urinary tract infections.
1 2D Structure

Methenamine Mandelate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-hydroxy-2-phenylacetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
2.1.2 InChI
InChI=1S/C8H8O3.C6H12N4/c9-7(8(10)11)6-4-2-1-3-5-6;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5,7,9H,(H,10,11);1-6H2
2.1.3 InChI Key
UXNFIJPHRQEWRQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1N2CN3CN1CN(C2)C3.C1=CC=C(C=C1)C(C(=O)O)O
2.2 Other Identifiers
2.2.1 UNII
695N30CINR
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Mandelamine

2.3.2 Depositor-Supplied Synonyms

1. 587-23-5

2. Hexydaline

3. Hexamethylenetetramine Mandelate

4. Mandacon

5. Hexamine Mandelate

6. Hexamethylenamine Mandelate

7. Methenamine Mandelate [usp]

8. 695n30cinr

9. Hexamine Mandelate (jan)

10. 1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane, Mono(alpha-hydroxybenzeneacetate)

11. Methenamine Mandelate (usp)

12. Hexamine Mandelate [jan]

13. Mantropine

14. Uromandelin

15. Cedulamin

16. Diuramine

17. Mandalay

18. Mandastat

19. Mandopan

20. Mandural

21. Mandurin

22. Penelate

23. Renelate

24. Uronamin

25. Uronamine

26. Mandoz

27. Reflux

28. Uro-cedulamin

29. Prov-u-sep

30. Hexamethyleneamine Mandelate

31. Unii-695n30cinr

32. Mandelic Acid Methenamine Salt

33. Hexamethylenetetramine, Mandelate

34. Hexamethylenetetramine Monomandelate

35. Mandelamine (tn)

36. Einecs 209-597-4

37. Einecs 229-817-2

38. Mandelic Acid Salt With (ch2)6n4

39. Hexamethylenetetramine Phenylglycolate

40. Ai3-50130

41. Methenaminemandelate

42. Schembl3645

43. Mandelic Acid, Compd With Hexamethylenetetramine

44. Chembl3833312

45. Mandelic Acid, Compd. With Hexamethylenetetramine (1:1)

46. Dtxsid40941180

47. Methenamine Mandelate [mi]

48. Bcp32164

49. Mandelate, Hexamethylenetetra-amine-

50. Methenamine Mandelate [vandf]

51. Methenamine Mandelate [mart.]

52. 2-hydroxy-2-phenylacetic Acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

53. Akos024319335

54. Methenamine Mandelate [usp-rs]

55. Methenamine Mandelate [who-dd]

56. 6754-75-2

57. Methenamine Mandelate [green Book]

58. Hexamethylenetetramine Mono-(+-)-mandelate

59. Db-053249

60. Ft-0603481

61. Methenamine Mandelate [usp Monograph]

62. D00856

63. Hexamethylenetetramine Mono-(+/-)-mandelate

64. Q27264316

65. Hexamethylenetetramine Mandelate Pound>>hexamine Mandelate

66. Glycolic Acid, Compound With 1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane

67. Methenamine Mandelate, United States Pharmacopeia (usp) Reference Standard

68. Hydroxy(phenyl)acetic Acid--1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane (1/1)

69. 19442-87-6

70. Benzeneacetic Acid, .alpha.-hydroxy-, (+/-)-, Compd. With 1,3,5,7-tetraazatricyclo((3.3.1.1(sup 3,7))decane (1:1)

71. Benzeneacetic Acid, Alpha-hydroxy-, (+-)-, Compd. With 1,3,5,7-tetraazatricyclo(3.3.1.1(sup 3,7))decane (1:1)

72. Benzeneacetic Acid, Alpha-hydroxy-, Compd With 1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane

73. Benzeneacetic Acid, Alpha-hydroxy-, Compd. With 1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane (1:1)

74. Hydroxy(phenyl)acetic Acid Compound With 1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane (1:1)

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 292.33 g/mol
Molecular Formula C14H20N4O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass292.15354051 g/mol
Monoisotopic Mass292.15354051 g/mol
Topological Polar Surface Area70.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Bacterial Agents

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)


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