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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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CAS Number

2008-75-5

End Use API

Raloxifene Hydrochloride

About the Company

Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry since our...

Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry since our inception in 1988. Our resources are dedicated to promoting better health through products that offer superior value. Located in Pithampur, Madhya Pradesh, Medilux Laboratories is committed to strategic research, delivering a complex range of globally benchmarked chemistries. Our products and services are rapidly making strides in the global pharmaceutical space, giving us the impetus to constantly strive for excellence and provide quality customer service.

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