Virupaksha Organics

CAS 368421-58-3

Chemistry, 7 End Use API, 19 Related Intermediates

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Also known as: 368421-58-3, (2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1h-1,2,4-triazol-1-yl)thiobutyramide, (2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanethioamide, 1286729-96-1, Mfcd28404611, Schembl1660790

Molecular Formula

C₁₃H₁₄F₂N₄OS

Molecular Weight

312.34 g/mol

InChI Key

UWVOPVUWKIHGRF-ISVAXAHUSA-N

1 2D Structure

CAS 368421-58-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C13H14F2N4OS/c1-8(12(16)21)13(20,5-19-7-17-6-18-19)10-4-9(14)2-3-11(10)15/h2-4,6-8,20H,5H2,1H3,(H2,16,21)/t8-,13+/m0/s1

2.1.3 InChI Key

UWVOPVUWKIHGRF-ISVAXAHUSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 368421-58-3

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

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

4. 1286729-96-1

5. Mfcd28404611

6. Schembl1660790

7. Dtxsid301127991

8. Amy30640

9. Cs-m3468

10. Zinc79106234

11. Akos027327319

12. Ac-31069

13. Ds-11355

14. D78288

15. A854830

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

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

18. (alphar,betar)-beta-(2,5-difluorophenyl)-beta-hydroxy-alpha-methyl-1h-1,2,4-triazole-1-butanethioamide

19. Rel-(

20. Ar,

21. Ar)-

22. A-(2,5-difluorophenyl)-

23. A-hydroxy-

24. A-methyl-1h-1,2,4-triazole-1-butanethioamide

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₄F₂N₄OS
Molecular Weight	312.34 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	312.08563858 g/mol
Monoisotopic Mass	312.08563858 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	389
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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CAS Number

368421-58-3

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.