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2D Structure
Also known as: 1340593-59-0, Vt-1161, Oteseconazole [usan], Vhh774w97n, Chembl3311228, (2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]propan-2-ol
Molecular Formula
C23H16F7N5O2
Molecular Weight
527.4  g/mol
InChI Key
IDUYJRXRDSPPRC-NRFANRHFSA-N
FDA UNII
VHH774W97N

Oteseconazole has been used in trials studying the treatment of Tinea Pedis, Onychomycosis, Candidiasis, Vulvovaginal, and Recurrent Vulvovaginal Candidiasis.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]propan-2-ol
2.1.2 InChI
InChI=1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12H2/t21-/m0/s1
2.1.3 InChI Key
IDUYJRXRDSPPRC-NRFANRHFSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OCC(F)(F)F
2.1.5 Isomeric SMILES
C1=CC(=CC=C1C2=CN=C(C=C2)C([C@](CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OCC(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
VHH774W97N
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Vt-1161

2.3.2 Depositor-Supplied Synonyms

1. 1340593-59-0

2. Vt-1161

3. Oteseconazole [usan]

4. Vhh774w97n

5. Chembl3311228

6. (2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]propan-2-ol

7. (r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol

8. 2-pyridineethanol, Alpha-(2,4-difluorophenyl)-beta,beta-difluoro-alpha-(1h-tetrazol-1-ylmethyl)-5-(4-(2,2,2-trifluoroethoxy)phenyl)-, (alphar)-

9. 2-pyridineethanol, Alpha-(2,4-difluorophenyl)-beta,beta-difluoro-alpha-(1h-tetrazol-1-ylmethyl)-5-[4-(2,2,2-trifluoroethoxy)phenyl]-, (alphar)-

10. Vivjoa

11. Oteseconazole [inn]

12. Oteseconazole (usan/inn)

13. Unii-vhh774w97n

14. Oteseconazole, (+)-

15. Oteseconazole [who-dd]

16. Schembl17113021

17. Chebi:188153

18. Bdbm50046187

19. Who 10138

20. Db13055

21. Sb17420

22. Vt-1161vt-1161

23. Hy-17643

24. Cs-0016914

25. D11785

26. D87154

27. Q27291837

28. (2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-{5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl}propan-2-ol

29. (alphar)-alpha-(2,4-difluorophenyl)-beta,beta-difluoro-alpha-(1h-tetrazol-1-ylmethyl)-5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridineethanol

2.4 Create Date
2014-09-01
3 Chemical and Physical Properties
Molecular Weight 527.4 g/mol
Molecular Formula C23H16F7N5O2
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass527.11922190 g/mol
Monoisotopic Mass527.11922190 g/mol
Topological Polar Surface Area86 Ų
Heavy Atom Count37
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of vulvovaginal candidiasis


5 Pharmacology and Biochemistry
5.1 ATC Code

J - Antiinfectives for systemic use

J02 - Antimycotics for systemic use

J02A - Antimycotics for systemic use

J02AC - Triazole and tetrazole derivatives

J02AC06 - Oteseconazole