Virupaksha Organics

CAS 241479-74-3

Chemistry, 4 End Use API, 22 Related Intermediates

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Also known as: 241479-74-3, Isavuconazole impurity 6, (2s,3r)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile, (alphas,betar)-beta-(2,5-difluorophenyl)-beta-hydroxy-alpha-methyl-1h-1,2,4-triazole-1-butanenitrile, Schembl1656831, Dtxsid401129526

Molecular Formula

C₁₃H₁₂F₂N₄O

Molecular Weight

278.26 g/mol

InChI Key

SYSUFNUKZJVPBI-TVQRCGJNSA-N

1 2D Structure

CAS 241479-74-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile

2.1.2 InChI

InChI=1S/C13H12F2N4O/c1-9(5-16)13(20,6-19-8-17-7-18-19)11-4-10(14)2-3-12(11)15/h2-4,7-9,20H,6H2,1H3/t9-,13+/m0/s1

2.1.3 InChI Key

SYSUFNUKZJVPBI-TVQRCGJNSA-N

2.1.4 Canonical SMILES

CC(C#N)C(CN1C=NC=N1)(C2=C(C=CC(=C2)F)F)O

2.1.5 Isomeric SMILES

C[C@@H](C#N)[C@](CN1C=NC=N1)(C2=C(C=CC(=C2)F)F)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 241479-74-3

2. Isavuconazole Impurity 6

3. (2s,3r)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile

4. (alphas,betar)-beta-(2,5-difluorophenyl)-beta-hydroxy-alpha-methyl-1h-1,2,4-triazole-1-butanenitrile

5. Schembl1656831

6. Dtxsid401129526

7. 1286729-93-8

8. Cs-z0013

9. Mfcd28411477

10. Zinc81956485

11. Akos027250773

12. Ds-9076

13. Ac-31068

14. Cs-0012464

15. A854829

16. (2s,3r)-3-(2,5-difluoro-phenyl)-3-hydroxy-2-methyl-4-[1,2,4]triazol-1-yl-butyronitrile

17. 3-(2,5-difluoro-phenyl)-3-hydroxy-2-methyl-4-[1,2,4]triazol-1-yl-butyronitrile

18. Rel-(2r,3s)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1h-1,2,4-triazol-1-yl)butanenitrile

2.3 Create Date

2011-10-03

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₂F₂N₄O
Molecular Weight	278.26 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	278.09791734 g/mol
Monoisotopic Mass	278.09791734 g/mol
Topological Polar Surface Area	74.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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(2R,3S)-2-(2,5-difluorophenyl)-3-methyl-2-[(1H-1,2,4-tr...

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CAS Number

241479-73-2

End Use API

Isavuconazonium Sulfate

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.