Rr Lifesciences

84541-38-8

Chemistry, 1 End Use API, 26 Related Intermediates

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Also known as: 84541-38-8, [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone, Methanone,[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-, Schembl1665661, Chembl1195663, Dtxsid00444581

Molecular Formula

C₃₀H₃₁NO₄S

Molecular Weight

501.6 g/mol

InChI Key

MSRYQTKAUSVEDP-UHFFFAOYSA-N

1 2D Structure

84541-38-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

2.1.2 InChI

InChI=1S/C30H31NO4S/c1-33-23-10-8-22(9-11-23)30-28(26-15-14-25(34-2)20-27(26)36-30)29(32)21-6-12-24(13-7-21)35-19-18-31-16-4-3-5-17-31/h6-15,20H,3-5,16-19H2,1-2H3

2.1.3 InChI Key

MSRYQTKAUSVEDP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 84541-38-8

2. [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

3. Methanone,[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-

4. Schembl1665661

5. Chembl1195663

6. Dtxsid00444581

7. Zinc13834282

8. Akos030255850

9. [6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone

10. 6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-methanone

11. Hy-135580

12. Cs-0113546

13. Ft-0674307

14. Ft-0674308

15. 2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]-6-methoxybenzo[b]thiophene

16. 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene

17. 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinylethoxy)benzoyl]benzo[b]thiophene

18. (4-(2-(piperidin-1-yl)ethoxy)phenyl)(6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)methanone

19. [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]{4-[2-(piperidin-1-yl)ethoxy]phenyl}methanone

20. [6-methoxy-2-(4-methoxyphenyl)-benzo-[b]-thien-3-yl] [4-[2-(1-piperidinyl)ethoxy]phenyl] Methanone

21. [6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl] Methanone

22. 6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-methanone; [6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₃₁NO₄S
Molecular Weight	501.6 g/mol
XLogP3	6.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	76.2
Heavy Atom Count	36
Formal Charge	0
Complexity	684
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-(piperidin-1-yl)ethoxy]benzoic acid hydrochloride

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CAS Number

166975-76-4

End Use API

Raloxifene Hydrochloride

About the Company

RR LIFESCIENCES manufactures products purely by organic synthesis to offer its customers a choice of prod...

RR LIFESCIENCES manufactures products purely by organic synthesis to offer its customers a choice of products in their areas. Our facilities are equipped with a range of reactor sizes, glass lined reactors and S.S. Reactors, some reactors are capable of operating at high extreme temperature. Other equipments includes Centrifuges, Vacuum Tray Drier, Multi Mills, Tray Drier, in clean finishing suites. All Our facilities are GMP complaint, designed to maintain the highest standards of safety. Our R&D scale-up capabilities from lab scale to commercialization. Our team of experts interacts with our customers from the initial stages of the project to ensure successful completion of the project. We follow stringent quality assurance norms and it has the domain expertise and state of art of facilities to develop analytical methods for evaluating quality of raw materials, intermediates and final products. Our R&D scale-up capabilities from lab scale to commercialization. Our team of experts interacts with our customers from the initial stages of the project to ensure successful completion of the project. We follow stringent quality assurance norms and it has the domain expertise and state of art of facilities to develop analytical methods for evaluating quality of raw materials, intermediates and final products.

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