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Technical details about Genaconazole, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-ylbutan-2-ol, Threo-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol, Chembl175050, Schembl1455652, Dtxsid90923916, Rac-(2r*,3r*)-2-(2,4-difluorophenyl)-3-(methylsulfonyl)-1-(1,2,4-triazol-1-yl)-2-butanol
Molecular Formula
C13H15F2N3O3S
Molecular Weight
331.34  g/mol
InChI Key
HFGZFHCWKKQGIS-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
2.1.2 InChI
InChI=1S/C13H15F2N3O3S/c1-9(22(2,20)21)13(19,6-18-8-16-7-17-18)11-4-3-10(14)5-12(11)15/h3-5,7-9,19H,6H2,1-2H3
2.1.3 InChI Key
HFGZFHCWKKQGIS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)S(=O)(=O)C
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Genaconazole

2. Sch 39304

3. Sch 42426

4. Sch 42427

5. Sch-39304

6. Sch-42426

7. Sch-42427

8. Sm 8668

9. Sm-8668

10. Threo-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol

2.2.2 Depositor-Supplied Synonyms

1. 2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-ylbutan-2-ol

2. Threo-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol

3. Chembl175050

4. Schembl1455652

5. Dtxsid90923916

6. Rac-(2r*,3r*)-2-(2,4-difluorophenyl)-3-(methylsulfonyl)-1-(1,2,4-triazol-1-yl)-2-butanol

7. 2-(2,4-difluorophenyl)-3-(methanesulfonyl)-1-(1h-1,2,4-triazol-1-yl)butan-2-ol

2.3 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 331.34 g/mol
Molecular Formula C13H15F2N3O3S
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass331.08021885 g/mol
Monoisotopic Mass331.08021885 g/mol
Topological Polar Surface Area93.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antifungal Agents

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)


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