Also known as: 1266084-51-8, Scyx-7158, 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide, 2ior2oo3gw, 4-fluoro-n-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide, 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo(c)(1),(2)oxaborol-6-yl-2-trifluoromethyl benzamide

Molecular Formula

C₁₇H₁₄BF₄NO₃

Molecular Weight

367.1 g/mol

InChI Key

PTYGDEXEGLDNAZ-UHFFFAOYSA-N

FDA UNII

2IOR2OO3GW

SCYX-7158 has been used in trials studying the treatment of Trypanosomiasis, Parasitic Diseases, Protozoan Infections, and Trypanosomiasis, African.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide

2.1.2 InChI

InChI=1S/C17H14BF4NO3/c1-16(2)12-6-4-10(8-14(12)18(25)26-16)23-15(24)11-5-3-9(19)7-13(11)17(20,21)22/h3-8,25H,1-2H3,(H,23,24)

2.1.3 InChI Key

PTYGDEXEGLDNAZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B1(C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)C(F)(F)F)C(O1)(C)C)O

2.2 Other Identifiers

2.2.1 UNII

2IOR2OO3GW

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Scyx 7158

2. Scyx-7158

3. Scyx7158

2.3.2 Depositor-Supplied Synonyms

1. 1266084-51-8

2. Scyx-7158

3. 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide

4. 2ior2oo3gw

5. 4-fluoro-n-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide

6. 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo(c)(1),(2)oxaborol-6-yl-2-trifluoromethyl Benzamide

7. Benzamide, N-(1,3-dihydro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-4-fluoro-2-(trifluoromethyl)-

8. Unii-2ior2oo3gw

9. Acoziborole [inn]

10. Acoziborole [who-dd]

11. Schembl1164186

12. Chembl2347704

13. Sctx-7158

14. Chebi:183111

15. Dtxsid301336035

16. An5568

17. Mfcd30532746

18. Akos037644970

19. Db13086

20. 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydro-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide

21. Ac-36374

22. As-55745

23. Hy-19910

24. Cs-0016944

25. J3.511.276f

26. W19688

27. A937430

28. Q27254793

29. 4-luoro-n-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(triluoromethyl)benzamide

30. 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-2-trifluoromethyl Benzamide

31. N-(1,3-dihydro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-4-fluoro-2-(trifluoromethyl)benzamide

2.4 Create Date

2009-08-31

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₄BF₄NO₃
Molecular Weight	367.1 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	367.1002861 g/mol
Monoisotopic Mass	367.1002861 g/mol
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	545
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

Acoziborole

Acoziborole

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