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1-(p-(2-(Hexahydro-1H-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol Monoacetate (salt)

1-(p-(2-(Hexahydro-1H-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol monoacetate (salt)

Chemistry

Chemistry

1-(p-(2-(Hexahydro-1H-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol monoacetate (salt)

Also known as: 198481-33-3, Viviant, Bazedoxifene (acetate), Conbriza, Way-140424, Tse 424

Molecular Formula

C₃₂H₃₈N₂O₅

Molecular Weight

530.7 g/mol

InChI Key

OMZAMQFQZMUNTP-UHFFFAOYSA-N

FDA UNII

J70472UD3D

1 2D Structure

1-(p-(2-(Hexahydro-1H-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol monoacetate (salt)

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

acetic acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol

2.1.2 InChI

InChI=1S/C30H34N2O3.C2H4O2/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31;1-2(3)4/h6-15,20,33-34H,2-5,16-19,21H2,1H3;1H3,(H,3,4)

2.1.3 InChI Key

OMZAMQFQZMUNTP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O.CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

J70472UD3D

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bazedoxifene

2. Tse 424

3. Tse-424

4. Tse424

5. Way-140424

2.3.2 Depositor-Supplied Synonyms

1. 198481-33-3

2. Viviant

3. Bazedoxifene (acetate)

4. Conbriza

5. Way-140424

6. Tse 424

7. Duavive

8. Bazedoxifen Acetate

9. Way-tes 424

10. J70472ud3d

11. 198481-33-3 (acetate)

12. 1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyphenyl)-3-methyl-1h-indol-5-ol Acetate

13. Ncgc00182055-02

14. Tse-424

15. Bazedoxifene Acetate

16. Dsstox_cid_28583

17. Dsstox_rid_82854

18. Dsstox_gsid_48657

19. 1-(p-(2-(hexahydro-1h-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol Monoacetate (salt)

20. 1-[[4-[2-(hexahydro-1h-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-1h-indol-5-ol Acetate

21. 1h-indol-5-ol, 1-((4-(2-(hexahydro-1h-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-, Monoacetate (salt)

22. 1-(p-(2-(hexahydro-1h-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol Acetic Acid

23. Acetic Acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol

24. Cas-198481-33-3

25. Brilence

26. Unii-j70472ud3d

27. Bazedoxifene Acetate [usan]

28. 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1h-indol-5-ol Acetate

29. Bazedoxifene Acetate [usan:jan]

30. Bazedoxifene-acetate

31. Viviant (tn)

32. 1133695-49-4

33. Bazedoxifeneacetate

34. Schembl635726

35. Chembl2106615

36. Dtxsid3048657

37. Bazedoxifene Acetate [mi]

38. Bazedoxifene Acetate (jan/usan)

39. Bazedoxifene Acetate [jan]

40. Bazedoxifene Acetate [usan]

41. Amy12155

42. Bcp19656

43. Ex-a5414

44. Hy-a0036

45. Tse 424;way-tes 424

46. Tox21_113013

47. Ac-099

48. Bazedoxifene Acetate [mart.]

49. Mfcd09260074

50. S2167

51. Bazedoxifene Acetate [who-dd]

52. Akos015896590

53. Tox21_113013_1

54. Ccg-269916

55. Ncgc00182055-03

56. As-19563

57. Bazedoxifene Acetate [orange Book]

58. Ft-0660250

59. Ft-0662499

60. D03062

61. Q27281282

62. 1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyphenyl)-3-methyl-1h-indol-5-olacetate

63. 1-(p-(2-(hexahydro-1h-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol Monoacetate (salt)

64. 1h-indol-5-ol, 1-((4-(2-(hexahydro-1h-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-, Monoacetate (salt)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₃₈N₂O₅
Molecular Weight	530.7 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	530.27807232 g/mol
Monoisotopic Mass	530.27807232 g/mol
Topological Polar Surface Area	95.2 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	654
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 1
Drug Name	DUAVEE
Active Ingredient	BAZEDOXIFENE ACETATE; ESTROGENS, CONJUGATED
Company	WYETH PHARMS PFIZER (Application Number: N022247. Patents: 5998402, 6479535, 7683051, 8815934)

4.2 Drug Indication

Conbriza is indicated for the treatment of postmenopausal osteoporosis in women at increased risk of fracture. A significant reduction in the incidence of vertebral fractures has been demonstrated; efficacy on hip fractures has not been established.

When determining the choice of Conbriza or other therapies, including oestrogens, for an individual postmenopausal woman, consideration should be given to menopausal symptoms, effects on uterine and breast tissues, and cardiovascular risks and benefits.

Duavive is indicated for:

- Treatment of oestrogen deficiency symptoms in postmenopausal women with a uterus (with at least 12 months since the last menses) for whom treatment with progestin-containing therapy is not appropriate.

The experience treating women older than 65 years is limited.

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Selective Estrogen Receptor Modulators

A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63) (See all compounds classified as Selective Estrogen Receptor Modulators.)

Bone Density Conservation Agents

Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS. (See all compounds classified as Bone Density Conservation Agents.)

5.2 ATC Code

G03XC02

G03CC07