Fluconazole
CAS Number: 86386-73-4
Molecular Mass: 306.27 g/mol
Formula: C13H12F2N6O
Smiles: OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
Synonymes:
Fluconazole, fluconazole, 86386-73-4, Diflucan, Triflucan, Biozolene, Elazor, Fluconazol, Zoltec, Flucostat, difluconazole, Fluconazolum, Flucazol, Flunizol, Pritenzol, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-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, UK 49858, UK-49858, 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol, Alkanazole, Fluconazoli, 1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, DTXSID3020627, DIFLUCAN IN SODIUM CHLORIDE 0.9%, 8VZV102JFY, Fluconazole in sodium chloride 0.9%, NSC-758661, DIFLUCAN IN DEXTROSE 5% IN PLASTIC CONTAINER, UK-49,858, BAYT006267, 2,4-Difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol, BAYT-006267, Fluconazole in dextrose 5% in plastic container, DTXCID10627, alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol, Fluconazole in sodium chloride 0.9% in plastic container, CHEBI:46081, DIFLUCAN IN SODIUM CHLORIDE 0.9% IN PLASTIC CONTAINER, Apo Fluconazole, Fluconazol Isis, Fluconazol ratiopharm, UK49858, fluconazolo, Biozole, Canesten oral, Diflucan One, Expel-F, RefChem:5831, Diflucan In Sodium Chloride, Fluconazole, Sodium Chloride, Fluconazole in Sodium Chloride, D01AC15, J02AC01, alpha-(2,4-difluorophenyl)-alpha-(1,2,4-triazol-1-ylmethyl)-1,2, 4-triazole-1-ethanol, 627-806-0, Biocanol, Fungata, C13H12F2N6O, MFCD00274549, Fluconazole [USAN], 2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol, Flukezol, Zonal, CHEMBL106, 2-(2,4-Difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol, Alflucoz, Cryptal, Dimycon, Flunazol, Oxifugol, Canzol, Forcan, Syscan, Baten, Mutum, Zemyc, NCGC00095089-01, Fluconazol [Spanish], Fluconazolum [Latin], Loitin, 2-(2,4-Difluoro-phenyl)-1,3-bis-[1,2,4]triazol-1-yl-propan-2-ol, DRG-0005, Diflazon, Fuconal, Triconal, Trican, 123631-92-5, Diflucan (TN), 1H-1,2,4-Triazole-1-ethanol, .alpha.-(2,4-difluorophenyl)-.alpha.-(1H-1,2,4-triazol-1-ylmethyl)-, SMR000471882, CAS-86386-73-4, FLCZ, CCRIS 7211, Fluconazole & hGCSF, Flucytosine & Nyotran, HSDB 7420, SR-01000765440, UNII-8VZV102JFY, XMP.284 & Fluconazole, XMP.366 & Fluconazole, XMP.391 & Fluconazole, Flucoral, 2-(2,4-difluorophenyl)-1,3-di(1,2,4-triazolyl)propan-2-ol, GL663142 & Fluconazole, Biozolene, , Diflucan, , Fluconazole CRS, Fungata, , Elazor, , Fluconazole & Bovine Lactoferrin, Fluconazole & MC-510,011, Fluconazole (f), Fluzon [Antifungal], KS-1059, AF01 - Antifungals, Fluconazole [USAN:USP:INN:BAN:JAN], Fluconazole (Standard), Fluconazole in combination with MGCD290, Spectrum_001654, Flucytosine & Nyotran(Liposomal Nystatin), FLUCONAZOLE [MI], Spectrum2_001607, Spectrum3_001912, Spectrum4_000090, Spectrum5_001277, FLUCONAZOLE [INN], FLUCONAZOLE [JAN], F0677, FLUCONAZOLE [HSDB], MGCD290 and Fluconazole, FLUCONAZOLE [VANDF], cid_3365, MG-3290 and Fluconazole, SCHEMBL3151, FLUCONAZOLE [MART.], BSPBio_003504, FLUCONAZOLE [USP-RS], FLUCONAZOLE [WHO-DD], FLUCONAZOLE [WHO-IP], KBioGR_000360, KBioSS_002134, MLS001066394, MLS001165780, MLS001195645, MLS001304713, MLS001306492, MLS006011884, BIDD:GT0799, DivK1c_001030, SPECTRUM1503975, SPBio_001613, orb1308762, orb3025538, Fluconazole (JP18/USP/INN), Fluconazole - Bio-X trade mark, SCHEMBL17504574, SCHEMBL29360276, BDBM25817, HMS503M21, HY-B0101R, KBio1_001030, KBio2_002134, KBio2_004702, KBio2_007270, KBio3_003009, FLUCONAZOLE [ORANGE BOOK], NINDS_001030, FLUCONAZOLE [EP MONOGRAPH], GLXC-06716, HMS1922O10, HMS2090I20, HMS2093M21, HMS2230O22, HMS3259H13, HMS3373I19, HMS3654P15, HMS3715F21, HMS3748G19, HMS5079J11, Pharmakon1600-01503975, FLUCONAZOLE [USP MONOGRAPH], FLUCONAZOLI [WHO-IP LATIN], Fluconazole 2.0 mg/ml in Methanol, HY-B0101, MSK10047, Tox21_111419, Tox21_202240, Tox21_300581, AC-428, BBL005614, CCG-39065, DL-407, EBC-03846, Fluconazole & Human recombinant granulocyte colony stimulating factor, NSC754343, NSC758661, s1331, SBB066063, STK619301, 2,4-Difluoro-alpha,alpha-1-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol, 2-(2,4-DIFLUORFENYL)-1,3-BIS(1H-1,2,4-TRIAZOOL-1-YL)PROPAAN-2-OL, AKOS000280854, Tox21_111419_1, CS-1835, DB00196, FD23320, Fluconazole for peak identification CRS, Fluconazole, >=98% (HPLC), powder, NC00650, NSC 758661, NSC-754343, IDI1_001030, NCGC00095089-02, NCGC00095089-04, NCGC00095089-05, NCGC00095089-06, NCGC00095089-07, NCGC00095089-08, NCGC00095089-09, NCGC00095089-10, NCGC00095089-11, NCGC00254412-01, NCGC00259789-01, BF164466, Fluconazole 100 microg/mL in Acetonitrile, SBI-0051880.P002, UK-049858, NS00000281, ST51039043, SW199616-2, EN300-53634, C07002, D00322, AB00052399-07, AB00052399-08, AB00052399_09, AB00052399_10, F036566, Q411478, SR-01000765440-2, SR-01000765440-4, SR-01000765440-8, BRD-K05977355-001-02-6, BRD-K05977355-001-09-1, BRD-K05977355-001-18-2, BRD-K05977355-001-19-0, BRD-K05977355-001-23-2, F2173-0496, Z235354561, Fluconazole, European Pharmacopoeia (EP) Reference Standard, Fluconazole, United States Pharmacopeia (USP) Reference Standard, 2-(2,4-Difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)-2-propanol, Fluconazole USP Related Compound C, 1,3-di(1H-1,2,4-triazol-1-yl)benzene, Fluconazole, Pharmaceutical Secondary Standard, Certified Reference Material, ?-(2,4-Difluorophenyl)-?-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol, 1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4- triazol -1-yl)methyl]methanol, 1H-1,2,4-Triazole-1-ethanol, |A-(2,4-difluorophenyl)-|A-(1H-1,2,4-triazol-1-ylmethyl)-, 2,4-DIFLUORO-1',1'-BIS(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZYL ALCOHOL, a-(2,4-Difluorophenyl)-a-(1H-1,2,4-triazol-1- ylmethyl)-1H-1,2,4-triazole-1-ethanol, Fluconazole for peak identification, European Pharmacopoeia (EP) Reference Standard, .alpha.-(2,4-Difluorophenyl)-.alpha.-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol, 1H-1,2,4-TRIAZOLE-1-ETHANOL, 1-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, Fluconazole USP Related Compound B, 2-(4-fluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1,4-Dioxane | 298.15 | - | 44.86 | [278] |
| 1,4-Dioxane | 303.15 | - | 59.63 | [278] |
| 1,4-Dioxane | 308.15 | - | 69.94 | [278] |
| 1,4-Dioxane | 313.15 | - | 78.7 | [278] |
| 1,4-Dioxane | 318.15 | - | 92.19 | [278] |
| 1,4-Dioxane | 323.15 | - | 108.9 | [278] |
| 1-Butanol | 298.15 | - | 19.4 | [278] |
| 1-Butanol | 303.15 | - | 22.0 | [278] |
| 1-Butanol | 308.15 | - | 27.0 | [278] |
| 1-Butanol | 313.15 | - | 33.83 | [278] |
| 1-Butanol | 318.15 | - | 43.7 | [278] |
| 1-Butanol | 323.15 | - | 52.9 | [278] |
| 1-Propanol | 298.15 | - | 47.41 | [278] |
| 1-Propanol | 303.15 | - | 52.16 | [278] |
| 1-Propanol | 308.15 | - | 60.6 | [278] |
| 1-Propanol | 313.15 | - | 71.48 | [278] |
| 1-Propanol | 318.15 | - | 85.6 | [278] |
| 1-Propanol | 323.15 | - | 113.5 | [278] |
| Chloroform | 298.15 | - | 51.92 | [278] |
| Chloroform | 303.15 | - | 51.97 | [278] |
| Chloroform | 308.15 | - | 52.78 | [278] |
| Chloroform | 313.15 | - | 55.88 | [278] |
| Chloroform | 318.15 | - | 60.1 | [278] |
| Chloroform | 323.15 | - | 67.67 | [278] |
| Ethanol | 293.15 | - | 55.7 | [277] |
| Ethanol | 298.15 | - | 65.03 | [277] |
| Ethanol | 298.15 | - | 58.1 | [278] |
| Ethanol | 303.15 | - | 73.71 | [277] |
| Ethanol | 303.15 | - | 77.45 | [278] |
| Ethanol | 308.15 | - | 82.33 | [277] |
| Ethanol | 308.15 | - | 89.3 | [278] |
| Ethanol | 313.15 | - | 95.69 | [277] |
| Ethanol | 313.15 | - | 121.4 | [278] |
| Ethanol | 318.15 | - | 120.0 | [277] |
| Ethanol | 318.15 | - | 149.2 | [278] |
| Ethanol | 323.15 | - | 147.2 | [277] |
| Ethanol | 323.15 | - | 186.2 | [278] |
| Methanol | 298.15 | - | 107.5 | [278] |
| Methanol | 303.15 | - | 147.0 | [278] |
| Methanol | 308.15 | - | 218.6 | [278] |
| Methanol | 313.15 | - | 325.2 | [278] |
| Methanol | 318.15 | - | 470.0 | [278] |
| Methanol | 323.15 | - | 703.0 | [278] |
| Tetrahydrofuran | 298.15 | - | 45.89 | [278] |
| Tetrahydrofuran | 303.15 | - | 58.61 | [278] |
| Tetrahydrofuran | 308.15 | - | 74.34 | [278] |
| Tetrahydrofuran | 313.15 | - | 84.61 | [278] |
| Tetrahydrofuran | 318.15 | - | 102.5 | [278] |
| Tetrahydrofuran | 323.15 | - | 124.2 | [278] |
| Water | 293.15 | - | 1.317 | [277] |
| Water | 298.15 | - | 1.354 | [277] |
| Water | 303.15 | - | 1.402 | [277] |
| Water | 308.15 | - | 1.45 | [277] |
| Water | 313.15 | - | 1.528 | [277] |
| Water | 318.15 | - | 1.615 | [277] |
| Water | 323.15 | - | 1.747 | [277] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1153.0935 |
| PMI2 | 2543.3724 |
| PMI3 | 3137.5220 |
| NPR1 | 0.3675 |
| NPR2 | 0.8106 |
| RadiusOfGyration | 3.3401 |
| InertialShapeFactor | 0.0007 |
| Eccentricity | 0.9300 |
| Asphericity | 0.2665 |
| SpherocityIndex | 0.3754 |
| PBF | 0.9878 |