CAS 198480-21-6

Chemistry, 1 End Use API, 5 Related Intermediates

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Also known as: 198480-21-6, 1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1h-indole, 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole, 1-[[4-[2-(hexahydro-1h-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1h-indole, 1-[4-(2-(azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1h-indole, Schembl637818

Molecular Formula

C₄₄H₄₆N₂O₃

Molecular Weight

650.8 g/mol

InChI Key

NXAHBBRIVLXMQA-UHFFFAOYSA-N

1 2D Structure

CAS 198480-21-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole

2.1.2 InChI

InChI=1S/C44H46N2O3/c1-34-42-30-41(49-33-37-14-8-5-9-15-37)24-25-43(42)46(44(34)38-18-22-40(23-19-38)48-32-36-12-6-4-7-13-36)31-35-16-20-39(21-17-35)47-29-28-45-26-10-2-3-11-27-45/h4-9,12-25,30H,2-3,10-11,26-29,31-33H2,1H3

2.1.3 InChI Key

NXAHBBRIVLXMQA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)OCCN5CCCCCC5)C6=CC=C(C=C6)OCC7=CC=CC=C7

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 198480-21-6

2. 1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1h-indole

3. 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole

4. 1-[[4-[2-(hexahydro-1h-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1h-indole

5. 1-[4-(2-(azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1h-indole

6. Schembl637818

7. Dtxsid00432463

8. Amy12142

9. Bcp14168

10. Yha48021

11. Mfcd09833278

12. Akos000282515

13. Zinc150349545

14. 5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-1h-indole

15. 1h-indole, 1-[[4-[2-(hexahydro-1h-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-

16. Ac-27662

17. Ds-12416

18. Cs-0020959

19. F13216

20. 1-[4-(2-azepan-1-yl-ethoxy)benzyl]-2-(4-benzyloxyphenyl)-5-benzyloxy-3-methyl-1h-indole

21. 1-[4-(2-(azepan-1-yl)ethoxy)benzyl]-5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1h-indole-d4

22. 5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1-[4-(2-azepan-1 -yl-ethoxy)-benzyl]-1h-indole

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₄₄H₄₆N₂O₃
Molecular Weight	650.8 g/mol
XLogP3	9.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
Exact Mass	650.35084333 g/mol
Monoisotopic Mass	650.35084333 g/mol
Topological Polar Surface Area	35.9 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	911
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

198480-21-6

End Use API

Bazedoxifene

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Mehta API Pvt Ltd engaged in manufacturing and marketing of APIs & Advance Drug Intermediates.... Globally. Mehta Api has been inordinately proud of its achievements since its inception .Our journey is paved with many success stories. Much of it has, in many ways, been unprecedented in the Pharma industry. Our success has been validated by what we hold the dearest - Product Excellence and Customer service. We believe that long-term business success is rooted in value. Business ethics are good business; they are like a long-term insurance policy. We are committed to Excellence in Product Quality and adherence to stringent delivery schedule.

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