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CAS 1422956-31-7
Also known as: 1422956-31-7, Uw5zhq897p, Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrate;dihydrochloride, 2-benzofurancarboxylic acid, 5-(1-piperazinyl)-, ethyl ester, (hydrochloride), hydrate (1, 2-benzofurancarboxylic acid, 5-(1-piperazinyl)-, ethyl ester, (hydrochloride), hydrate (1:2:1), Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate dihydrochloride monohydrate
Molecular Formula
C15H22Cl2N2O4
Molecular Weight
365.2  g/mol
InChI Key
GOKCUPVWRIMFNJ-UHFFFAOYSA-N
FDA UNII
UW5ZHQ897P

1 2D Structure

CAS 1422956-31-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrate;dihydrochloride
2.1.2 InChI
InChI=1S/C15H18N2O3.2ClH.H2O/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17;;;/h3-4,9-10,16H,2,5-8H2,1H3;2*1H;1H2
2.1.3 InChI Key
GOKCUPVWRIMFNJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3.O.Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
UW5ZHQ897P
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1422956-31-7

2. Uw5zhq897p

3. Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrate;dihydrochloride

4. 2-benzofurancarboxylic Acid, 5-(1-piperazinyl)-, Ethyl Ester, (hydrochloride), Hydrate (1

5. 2-benzofurancarboxylic Acid, 5-(1-piperazinyl)-, Ethyl Ester, (hydrochloride), Hydrate (1:2:1)

6. Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate Dihydrochloride Monohydrate

7. 2-benzofurancarboxylic Acid, 5-(1-piperazinyl)-, Ethyl Ester, Hydrochloride, Hydrate (1:2:1)

8. Unii-uw5zhq897p

9. Bcp12349

10. Cs-m1931

11. Xgc95631

12. Cs-13596

13. 5-(1-piperazinyl)-2-benzofurancarboxylic Acid Ethyl Ester 2hcl Hydrate

14. 5-(1-piperazinyl)-2-benzofurancarboxylicacidethylesterdihydrochloridehydrate

15. 2-benzofurancarboxylic Acid,5-(1-piperazinyl)-,ethyl Ester,(hydrochloride),hydrate (1:2:1)

16. 2-benzofurancarboxylic Acid, 5-(1-piperazinyl)-, Ethyl Ester, (hcl), Hydrate (1:2:1)

2.4 Create Date
2014-10-10
3 Chemical and Physical Properties
Molecular Weight 365.2 g/mol
Molecular Formula C15H22Cl2N2O4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass364.0956626 g/mol
Monoisotopic Mass364.0956626 g/mol
Topological Polar Surface Area55.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4
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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.
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Vilazodone
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.
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174775-48-5
Vilazodone
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.
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WBC 2024

Not Confirmed

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