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CAS 198481-33-3
PharmaCompass
CAS 198481-33-3
Also known as: 198481-33-3, Viviant, Bazedoxifene acetate, Bazedoxifene (acetate), Unii-j70472ud3d, Way-140424
Molecular Formula
C32H38N2O5
Molecular Weight
530.665  g/mol
InChI Key
OMZAMQFQZMUNTP-UHFFFAOYSA-N
FDA UNII
J70472UD3D

1 2D Structure

CAS 198481-33-3

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 Depositor-Supplied Synonyms

1. 198481-33-3

2. Viviant

3. Bazedoxifene Acetate

4. Bazedoxifene (acetate)

5. Unii-j70472ud3d

6. Way-140424

7. Tse 424

8. Brilence

9. Ncgc00182055-02

10. Bazedoxifene-d4

11. Dsstox_cid_28583

12. Dsstox_rid_82854

13. Dsstox_gsid_48657

14. Way-tes 424

15. 1-[[4-[2-(hexahydro-1h-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-1h-indol-5-ol Acetate

16. Cas-198481-33-3

17. Bazedoxifene Acetate [usan]

18. Bazedoxifene Acetate [usan:jan]

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

20. Bazedoxifene-acetate

21. Viviant (tn)

22. 1133695-49-4

23. Ac1l4byc

24. Schembl635726

25. Chembl2106615

26. Dtxsid3048657

27. Acetic Acid; Bazedoxifene

28. Bazedoxifene Acetate (jan/usan)

29. Molport-005-933-325

30. Omzamqfqzmuntp-uhfffaoysa-n

31. J70472ud3d

32. Hy-a0036

33. Tox21_113013

34. Ac-099

35. An-418

36. Mfcd09260074

37. S2167

38. Akos015896590

39. Tox21_113013_1

40. Acn-031425

41. Api0005000

42. Cs-1020

43. Ncgc00182055-03

44. 1-(p-(2-(hexahydro-1h-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol Monoacetate (salt)

45. 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1h-indol-5-ol Acetate (1:1)

46. 1h-indol-5-ol, 1-((4-(2-(hexahydro-1h-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-, Monoacetate (salt)

47. As-19563

48. Bc203248

49. He071187

50. He110240

51. He323000

52. Ab0000974

53. Ab2000536

54. Kb-105284

55. Ls-191849

56. St2406638

57. Ft-0084335

58. Ft-0660250

59. Y0396

60. B-2184

61. D03062

62. I06-2227

63. 1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyphenyl)-3-methyl-1h-indol-5-ol Acetate

64. 1-(p-(2-(hexahydro-1h-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol Monoacetate (salt)

65. 1-?[[4-?[2-?(hexahydro-?1h-?azepin-?1-?yl)ethoxy]phenyl]methyl]-?2-?(4-?hydroxyphenyl)-?3-?methyl-?1h-?indol-?5-?ol,? Acetate

66. 1h-indol-5-ol, 1-((4-(2-(hexahydro-1h-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-, Monoacetate (salt)

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

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

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 530.665 g/mol
Molecular Formula C32H38N2O5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass530.278 g/mol
Monoisotopic Mass530.278 g/mol
Topological Polar Surface Area95.2 A^2
Heavy Atom Count39
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 1  
Drug NameDUAVEE
Active IngredientBAZEDOXIFENE ACETATE; ESTROGENS, CONJUGATED
CompanyWYETH PHARMS PFIZER (Application Number: N022247. Patents: 5998402, 6479535, 7683051, 8815934)

4.2 Drug Indication

Treatment of hereditary haemorrhagic telangiectasia


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)


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.


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