Dksh

CAS 63676-22-2

Chemistry, 4 End Use API, 23 Related Intermediates

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Also known as: 63676-22-2, Raloxifene core, 2-(4-hydroxyphenyl)benzo[b]thiophene-6-ol, Estrogen receptor modulator 1, 2-(4-hydroxyphenyl)-1-benzothiophen-6-ol, 2-(4-hydroxyphenyl)-benzo[b]thiophene-6-ol

Molecular Formula

C₁₄H₁₀O₂S

Molecular Weight

242.29 g/mol

InChI Key

MDGWZLQPNOETLH-UHFFFAOYSA-N

FDA UNII

8ZK5PJ1CM3

1 2D Structure

CAS 63676-22-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-hydroxyphenyl)-1-benzothiophen-6-ol

2.1.2 InChI

InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H

2.1.3 InChI Key

MDGWZLQPNOETLH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C2=CC3=C(S2)C=C(C=C3)O)O

2.2 Other Identifiers

2.2.1 UNII

8ZK5PJ1CM3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 63676-22-2

2. Raloxifene Core

3. 2-(4-hydroxyphenyl)benzo[b]thiophene-6-ol

4. Estrogen Receptor Modulator 1

5. 2-(4-hydroxyphenyl)-1-benzothiophen-6-ol

6. 2-(4-hydroxyphenyl)-benzo[b]thiophene-6-ol

7. 2-(4-hydroxyphenyl)-1-benzothiophene-6-ol

8. 8zk5pj1cm3

9. Chembl431698

10. 2-(4-hydroxyphenyl)benzo(b)thiophene-6-ol

11. Benzo[b]thiophene-6-ol, 2-(4-hydroxyphenyl)-

12. 6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophene

13. 6-hydroxy-2-(4-hydroxyphenyl)-benzo[b]thiophene

14. 6-hydroxy-2-(4-hydroxyphenyl)-benzo(b)thiophene

15. Raloxifene Impurity 2

16. Benzthiophene Compound, 3

17. Unii-8zk5pj1cm3

18. Ec 691-840-2

19. Ztw

20. Schembl2567321

21. Bdbm20628

22. Dtxsid70332204

23. Zinc3581478

24. Mfcd16619490

25. Akos016003276

26. Ac-8398

27. Db08773

28. As-64856

29. Db-027464

30. Hy-110201

31. 2-(4-hydroxyphenyl)-6-hydroxybenzothiophene

32. Cs-0033065

33. Ft-0709145

34. H1628

35. F16052

36. 2-(4-hydroxyphenyl)-6-hydroxybenzo[b]thiophene

37. Q27097953

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₀O₂S
Molecular Weight	242.29 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	242.04015073 g/mol
Monoisotopic Mass	242.04015073 g/mol
Topological Polar Surface Area	68.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	263
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	1

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Digital Content

4-(2-Piperidino Ethoxy) Benzoic Acid HCl

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CAS Number

84449-80-9

End Use API

Raloxifene Hydrochloride

About the Company

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and bus...

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and business growth in both existing and emerging markets. It has been fostering growth for businesses in Asia and beyond for over 155 years. DKSH operates in 36 markets, is listed on the SIX Swiss Exchange, employs 33,100 specialists, and generated net sales of CHF 11.1 billion in 2021. It is the leading global distributor of innovative pharma ingredients for pharmaceutical synthesis and formulation. It offers a range of products, ranging from animal care products to packaging materials, intermediates to nutraceuticals, and APIs to excipients.