Structure & Deep Data of Fluconazole (C13H12F2N6O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The fluconazole molecule contains a total of 36 bond(s). There are 24 non-H bond(s), 16 multiple bond(s), 5 rotatable bond(s), 16 aromatic bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 hydroxyl group(s), 1 tertiary alcohol(s), and 2 Triazole(s). Images of the chemical structure of fluconazole are given below:

The 2D chemical structure image of fluconazole is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of fluconazole are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of fluconazole is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of fluconazole. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Fluconazole Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of fluconazole

  The SMILES string of fluconazole is OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the fluconazole.

• Structure Data File (SDF/MOL File) of fluconazole

  The structure data file (SDF/MOL File) of fluconazole is available for download in the SDF page of fluconazole, which provides the information about the atoms, bonds, connectivity and coordinates of fluconazole. The fluconazole structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of fluconazole

  The molecular formula of fluconazole is available in chemical formula page of fluconazole, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of fluconazole

  The molecular weight of fluconazole is available in molecular weight page of fluconazole, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of fluconazole

  The fluconazole compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of fluconazole including the various registry numbers, if available:

  • T5978459
  • C-19046
  • 3-(CYCLOPROPYLMETHYL)PIPERIDIN-2-ONE
  • ALPHA-(2,4-DIFLUOROPHENYL)-ALPHA-(1H-1,2,4-TRIAZOLE-1-YLMETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL
  • 340962-81-4
  • .alpha.-(2,4-Difluorophenyl)-.alpha.-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol
  • Fluconazole|UK 49858|2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol
  • Fluconazole solution, 2.0 mg/mL in methanol, ampule of 1 mL, certified reference material
  • Fluconazole for peak identification, European Pharmacopoeia (EP) Reference Standard
  • 2,4-DIFLUORO-ALPHA,ALPHA-1-BIS(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZYLALCOHOL

  • 2-[2,4-bis(fluoranyl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
  • 2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol
  • 2,4-Difluoro-alpha,alpha1-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol
  • Fluconazole, United States Pharmacopeia (USP) Reference Standard
  • 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-2-propanol
  • Fluconazole, pharmaceutical secondary standard; traceable to USP
  • Fluconazole, European Pharmacopoeia (EP) Reference Standard
  • Z235354561
  • F2173-0496
  • BRD-K05977355-001-09-1

  • SR-01000765440-8
  • Q-201120
  • A841625
  • AB00052399-08
  • AB00052399-07
  • J10407
  • EN300-53634
  • UK-49,858
  • SBI-0051880.P002
  • Flucytosine & Nyotran(Liposomal Nystatin)

  • Fluconazole-Supplied by Selleck Chemicals
  • Fluconazole, >=98% (HPLC), powder
  • CCG-39065
  • ANW-42860
  • HY-B0101
  • Pharmakon1600-01503975
  • HMS3654P15
  • HMS3373I19
  • HMS3259H13
  • HMS2230O22

  • Fluconazole (JP17/USAN/INN)
  • Fluconazole & Bovine Lactoferrin
  • BDBM25817
  • Fluconazole (JAN/USAN/INN)
  • 1-p-tolylpyridin-2(1H)-one
  • GL663142 & Fluconazole
  • Fluconazole capsules (JP17)
  • D015725
  • MG-3290 and Fluconazole
  • XMP.391 & Fluconazole

  • XMP.366 & Fluconazole
  • XMP.284 & Fluconazole
  • MGCD290 and Fluconazole
  • Fluconazole Injection Sdz
  • Diflucan Pws 50mg/5ml
  • PMS-fluconazole-150
  • Novo-fluconazole-150
  • Fluconazole [USAN:USP:INN:BAN:JAN]
  • nchembio.65-comp15
  • nchembio.100-comp3

  • Ipg-fluconazole-150
  • Flucytosine & Nyotran
  • Apo-fluconazole-150
  • Diflucan Tab 100mg
  • Co Fluconazole-150
  • Nu-fluconazole-150
  • Diflucan Inj 2mg/ml
  • Fluconazole [USAN]
  • Fluzon [Antifungal]
  • Fluconazole Injection

  • Diflucan Tab 50mg
  • ct-Arzneimittel Brand of Fluconazole
  • ct Arzneimittel Brand of Fluconazole
  • Fluconazole-150
  • Fluconazole 150
  • Lichtenstein Brand of Fluconazole
  • Fluconazole Omega
  • Fluconazole (f)
  • Priva-fluconazole
  • Mylan-fluconazole

  • Taro-fluconazole
  • Riva-fluconazole
  • ratiopharm Brand of Fluconazole
  • PMS-fluconazole
  • PHL-fluconazole
  • Novo-fluconazole
  • Jamp-fluconazole
  • Diflucan One
  • Act Fluconazole
  • betapharm Brand of Fluconazole

  • Armstrong Brand of Fluconazole
  • Pro-fluconazole
  • Dom-fluconazole
  • Alpharma Brand of Fluconazole
  • 2-(2,4-difluorophenyl)-1,3-di(1,2,4-triazolyl)propan-2-ol
  • Monicure
  • Canesoral
  • Biozole
  • Alfumet
  • Silanes Brand of Fluconazole

  • Pfleger Brand of Fluconazole
  • Pfizer Brand of Fluconazole
  • Chemia Brand of Fluconazole
  • Apotex Brand of Fluconazole
  • Stada Brand of Fluconazole
  • Lesvi Brand of Fluconazole
  • Hexal Brand of Fluconazole
  • Effik Brand of Fluconazole
  • Aliud Brand of Fluconazole
  • Vita Brand of Fluconazole

  • Mack Brand of Fluconazole
  • SAT Brand of Fluconazole
  • AbZ Brand of Fluconazole
  • CAS-86386-73-4
  • Fluconazol-ratiopharm
  • Fluconazol ratiopharm
  • FCZ
  • Fluconazol von ct
  • Fluc Hexal
  • Fluconazole & Human recombinant granulocyte colony stimulating factor

  • Fluconazol Stada
  • Fluconazol AL
  • 2-(2,4-Difluoro-phenyl)-1,3-bis-[1,2,4]triazol-1-yl-propan-2-ol
  • Fluconazol AbZ
  • Fluconazol-Isis
  • Fluconazol Isis
  • Apo Fluconazole
  • FlucoLich
  • Lavisa
  • Triconal

  • Solacap
  • Oxifungol
  • Flunazul
  • Flucobeta
  • Beagyne
  • Neofomiral
  • difluconazole
  • I06-0069
  • BRD-K05977355-001-02-6
  • D00322

  • 2-(2,4-Difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol
  • F0677
  • 2,4-difluoro-,1-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol
  • Fluconazole in combination with MGCD290
  • Fluconazole in sodium chloride 0.9% in plastic container
  • Diflucan, Trican, Alfumet, Fluconazole
  • 123631-92-5
  • 1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-
  • MFCD00274549
  • HMS2093M21

  • HMS2090I20
  • HMS1922O10
  • 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
  • Fluconazole in dextrose 5% in plastic container
  • HMS503M21
  • Fluconazole & MC-510,011
  • DIFLUCAN IN SODIUM CHLORIDE 0.9% IN PLASTIC CONTAINER
  • SPECTRUM1503975
  • Bio-0041
  • BIDD:GT0799

  • 8VZV102JFY
  • DIFLUCAN IN DEXTROSE 5% IN PLASTIC CONTAINER
  • 2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol
  • Fluconazole in sodium chloride 0.9%
  • alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol
  • Fluconazole [USAN:INN:BAN:JAN]
  • 2,4-Difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol
  • DIFLUCAN IN SODIUM CHLORIDE 0.9%
  • Fluconazole & hGCSF
  • FLCZ

  • Diflucan (TN)
  • C13H12F2N6O
  • Trican
  • Fuconal
  • Diflazon
  • DRG-0005
  • UK 49858
  • 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
  • Apo-Fluconazole
  • Fluconazolum [Latin]

  • Fluconazol [Spanish]
  • Loitin
  • Fluzone
  • Flunazol
  • Zemyc
  • Mutum
  • Baten
  • Zoltec
  • Syscan
  • Forcan

  • Flusol
  • Dimycon
  • Cryptal
  • Canzol
  • Afungil
  • Oxifugol
  • Alflucoz
  • Zonal
  • Flukezol
  • Fluconazolum

  • Fluconazol
  • Fungata
  • Pritenzol
  • Flunizol
  • Flucostat
  • Elazor
  • Triflucan
  • Diflucan
  • 86386-73-4
  • fluconazole

  • Flucazol
  • Biocanol
  • Biozolene

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Fluconazole Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of fluconazole?
C13H12F2N6O
How many atoms and what are the elements included the fluconazole molecule?
34 atom(s) - 12 Hydrogen atom(s), 13 Carbon atom(s), 6 Nitrogen atom(s), 1 Oxygen atom(s), and 2 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the fluconazole structure?
36 bond(s) - 24 non-H bond(s), 16 multiple bond(s), 5 rotatable bond(s), 16 aromatic bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 hydroxyl group(s), 1 tertiary alcohol(s), and 2 Triazole(s)
What’s the fluconazole’s molecular weight?
306.27079 g/mol
What’s the SMILES code of fluconazole?
OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F
What’s the InChI string of fluconazole?
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
What’s the InChIKey code of fluconazole?
RFHAOTPXVQNOHP-UHFFFAOYSA-N

3570 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).