Fluconazole

Synonyms: fluconazole, "Diflucan", "Triflucan", "Elazor", "Biozolene", "Biocanol", "Fungata", "Fluconazolum", "Fluconazol", "Flunizol", "Flukezol", "Flucostat", "Pritenzol", "Flucazol", "Zoltec", "Dimycon", "Forcan", "Flusol", "Cryptal", "Canzol", "Mutum", "Zemyc", "Baten", "2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol".

Source: Fluconazole is a fungistatic drug.

Identifiers:

IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
CAS Number: 86386-73-4
PubChem ID: 3365
InChiKey: RFHAOTPXVQNOHP-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O

Structural Properties:

Molecular Formula: C₁₃H₁₂F₂N₆O
Molecular Weight: 306.27

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 7
Number of atoms different from hydrogen: 22

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Emerging Contaminant

Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure