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Flavoxate Hydrochloride

Synopsis, Chemistry

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Also known as: 3717-88-2, Flavoxate hcl, Urispas, Dw-61, Flavoxate (hydrochloride), Bladderon

Molecular Formula

C₂₄H₂₆ClNO₄

Molecular Weight

427.9 g/mol

InChI Key

XOEVKNFZUQEERE-UHFFFAOYSA-N

FDA UNII

9C05J6089W

A drug that has been used in various urinary syndromes and as an antispasmodic. Its therapeutic usefulness and its mechanism of action are not clear. It may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity as a muscarinic antagonist.

1 2D Structure

Flavoxate Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride

2.1.2 InChI

InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H

2.1.3 InChI Key

XOEVKNFZUQEERE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4.Cl

2.2 Other Identifiers

2.2.1 UNII

9C05J6089W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bladuril

2. Flavoxate

3. Hydrochloride, Flavoxate

4. Spasuret

5. Urispas

6. Uronid

2.3.2 Depositor-Supplied Synonyms

1. 3717-88-2

2. Flavoxate Hcl

3. Urispas

4. Dw-61

5. Flavoxate (hydrochloride)

6. Bladderon

7. Peflate

8. Spasmal

9. Nsc-114649

10. Dw 61 (flavoxate)

11. 2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4h-chromene-8-carboxylate Hydrochloride

12. Rec 7/0040

13. Rec-7-0040;dw61

14. Flavoxate Hydrochloride

15. Chebi:5089

16. 2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4h-1-benzopyran-8-carboxylate Hydrochloride

17. 9c05j6089w

18. Piperidinoethyl-3-methylflavone-8-carboxylate Hydrochloride

19. Spasuret Hydrochloride

20. Dsstox_cid_27764

21. Dsstox_rid_82541

22. Dsstox_gsid_47784

23. 4h-1-benzopyran-8-carboxylic Acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-piperidinyl)ethyl Ester, Hydrochloride

24. Genurin

25. Spasuret

26. Urispadol

27. Verrispasmin Amp.

28. 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride

29. Ak 123

30. Nsc114649

31. Rec-7-0040

32. Ncgc00016636-01

33. Cas-3717-88-2

34. Ccris 1950

35. Sr-01000872667

36. Unii-9c05j6089w

37. Prestwick_884

38. Einecs 223-066-4

39. Mfcd00072099

40. Nsc 114649

41. Rec 7-0040

42. Flavoxate Hydrochloride [usan:usp:jan]

43. Rec-7-0040 Hcl

44. Mls002154247

45. Schembl124540

46. Dw61

47. Chembl1200875

48. Dtxsid1047784

49. Hy-b0549a

50. 1-piperidinoethanol, Hydrochloride

51. Hms1568b06

52. Bcp13298

53. Flavoxate Hydrochloride [mi]

54. Tox21_110537

55. Flavoxate Hydrochloride (jp17/usp)

56. Flavoxate Hydrochloride [jan]

57. S4027

58. Flavoxate Hydrochloride [usan]

59. Akos025310107

60. Tox21_110537_1

61. Ac-1093

62. Ccg-220242

63. Flavoxate Hydrochloride [mart.]

64. 1-piperidineethanol, 3-methyl-4-oxo-2-phenyl-4h-1-benzopyran-8-carboxylate, Hydrochloride

65. 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Hydrochloride

66. Flavoxate Hydrochloride [usp-rs]

67. Flavoxate Hydrochloride [who-dd]

68. Dw-61;rec-7-0040;dw61

69. Ncgc00016636-05

70. 4h-1-benzopyran-8-carboxylic Acid, 3-methyl-4-oxo-2-phenyl-, 2-piperidinoethyl Ester, Hydrochloride

71. As-12321

72. Smr000499576

73. F0717

74. Flavoxate Hydrochloride [ep Impurity]

75. Flavoxate Hydrochloride [orange Book]

76. Ft-0658191

77. Ft-0668549

78. Sw197005-3

79. Flavoxate Hydrochloride [ep Monograph]

80. D00718

81. D90684

82. Flavoxate Hydrochloride [usp Monograph]

83. Flavoxate Hydrochloride, >=98% (hplc), Solid

84. J-521367

85. Sr-01000872667-1

86. Q27106648

87. Wln: T66 Bo Evj Cr& D1 Jvo2- At6ntj &gh

88. 4h-1-benzopyran-8-carboxylic Acid, 2-piperidinoethyl Ester, Hydrochloride

89. Flavoxate Hydrochloride, European Pharmacopoeia (ep) Reference Standard

90. Flavoxate Hydrochloride, United States Pharmacopeia (usp) Reference Standard

91. 1-(2-{[(3-methyl-4-oxo-2-phenyl-4h-chromen-8-yl)carbonyl]oxy}ethyl)piperidinium Chloride

92. 2-(piperidin-1-yl)ethyl3-methyl-4-oxo-2-phenyl-4h-chromene-8-carboxylatehydrochloride

93. 2-piperidinoethyl-3-methyl-4-oxo-2-phenyl-4h-1-benzopyran-8-carboxylate Hydrochloride

94. 4h-1-benzopyran-8-carboxylic Acid, 2-(1-piperidinyl)ethyl Ester, Hydrochloride

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₆ClNO₄
Molecular Weight	427.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	427.1550360 g/mol
Monoisotopic Mass	427.1550360 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	631
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

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Flavoxate hydrochloride
Drug Label	Flavoxate hydrochloride tablets contain flavoxate hydrochloride, a synthetic urinary tract spasmolytic.Chemically, flavoxate hydrochloride is 2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride. The empirical formula...
Active Ingredient	Flavoxate hydrochloride
Dosage Form	Tablet
Route	Oral
Strength	100mg
Market Status	Prescription
Company	Impax Pharms; Epic Pharma; Paddock

2 of 2
Drug Name	Flavoxate hydrochloride
Drug Label	Flavoxate hydrochloride tablets contain flavoxate hydrochloride, a synthetic urinary tract spasmolytic.Chemically, flavoxate hydrochloride is 2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride. The empirical formula...
Active Ingredient	Flavoxate hydrochloride
Dosage Form	Tablet
Route	Oral
Strength	100mg
Market Status	Prescription
Company	Impax Pharms; Epic Pharma; Paddock

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Parasympatholytics

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)

Urological Agents

Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS. (See all compounds classified as Urological Agents.)

5.2 FDA Pharmacological Classification

5.2.1 Pharmacological Classes

Cholinergic Muscarinic Antagonists [MoA]; Cholinergic Muscarinic Antagonist [EPC]