Virupaksha Organics

CAS 163521-09-3

Chemistry, 1 End Use API, 22 Related Intermediates

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Also known as: 163521-09-3, Ethyl 5-(4-(4-(5-cyano-1h-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate dihydrochloride, Ethyl 5-[4-[4-(5-cyano-1h-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate;dihydrochloride, Bcp16956, Cs-m1364, Akos025401857

Molecular Formula

C₂₈H₃₂Cl₂N₄O₃

Molecular Weight

543.5 g/mol

InChI Key

IUIWYNHWHWFSDU-UHFFFAOYSA-N

1 2D Structure

CAS 163521-09-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate;dihydrochloride

2.1.2 InChI

InChI=1S/C28H30N4O3.2ClH/c1-2-34-28(33)27-17-22-16-23(7-9-26(22)35-27)32-13-11-31(12-14-32)10-4-3-5-21-19-30-25-8-6-20(18-29)15-24(21)25;;/h6-9,15-17,19,30H,2-5,10-14H2,1H3;2*1H

2.1.3 InChI Key

IUIWYNHWHWFSDU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C#N.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 163521-09-3

2. Ethyl 5-(4-(4-(5-cyano-1h-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate Dihydrochloride

3. Ethyl 5-[4-[4-(5-cyano-1h-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate;dihydrochloride

4. Bcp16956

5. Cs-m1364

6. Akos025401857

7. 2-benzofurancarboxylic Acid, 5-[4-[4-(5-cyano-1h-indol-3-yl)butyl]-1-piperazinyl]-, Ethyl Ester, Hydrochloride (1:2)

8. Ac-26404

9. Cs-13882

10. Db-085862

11. 5-[4-[4-(5-cyano-1h-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxylic Acid Ethyl Ester Hydrochloride

12. Ethyl 5-(4-(4-(5-cyano-1h-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate 2hcl

13. Ethyl5-(4-(4-(5-cyano-1h-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylatedihydrochloride

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₂Cl₂N₄O₃
Molecular Weight	543.5 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	542.1851463 g/mol
Monoisotopic Mass	542.1851463 g/mol
Topological Polar Surface Area	85.5 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	761
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	3

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CAS Number

183288-43-9

End Use API

Vilazodone

About the Company

Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality produ...

Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality products to its customers. In less than two decades, the Hyderabad-headquartered company has expanded from a single manufacturing unit to four units employing over 900 employees. Virupaksha’s four manufacturing units are located at Kazipally, Pashamylaram, Humnabad and Gandhi Nagar. Its manufacturing facility is FDA-approved. It now has a large customer base of over 300 customers and a presence in more than 100 countries.