Fosfluconazole - ≥99% , CAS No.194798-83-9

CAS: 194798-83-9 Cat. No.: F413468 Fórmula: C₁₃H₁₃F₂N₆O₄P Peso molecular: 386.25 Número EC: 112-751-2

GRADE & PURITY ≥99%

Synonyms

Q-102142 | UK 292663 | 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-((1H-1,2,4-triazol-1-yl)methyl)ethyl dihydrogen phosphate | D01429 | HY-100666 | CAS-194798-83-9 | Fosfluconazole | Fosfluconazole [INN] | CHEBI:31634 | DTXCID6028527 | BCP26648 | F

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Fosfluconazole Fosfluconazole is a water-soluble phosphate prodrug of fluconazole, which is a triazole antifungal drug used in the treatment and prevention of superficial and systemic fungal infections.

Specifications

Sinónimos

Q-102142 | UK 292663 | 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-((1H-1,2,4-triazol-1-yl)methyl)ethyl dihydrogen phosphate | D01429 | HY-100666 | CAS-194798-83-9 | Fosfluconazole | Fosfluconazole [INN] | CHEBI:31634 | DTXCID6028527 | BCP26648 | F

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Fosfluconazole is a water-soluble phosphate prodrug of fluconazole, which is a triazole antifungal drug used in the treatment and prevention of superficial and systemic fungal infections.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Propiedades del producto

ALogP

0.678

hba_count

5

Enlace rotable

7

Nombres e identificadores

Pubchem Sid

504757862

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757862

Sonrisas canónicas

C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)OP(=O)(O)O

IUPAC Name

[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] dihydrogen phosphate

InChIKey

GHJWNRRCRIGGIO-UHFFFAOYSA-N

INCHI

1S/C13H13F2N6O4P/c14-10-1-2-11(12(15)3-10)13(25-26(22,23)24,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9H,4-5H2,(H2,22,23,24)

Isómeros SMILES

C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)OP(=O)(O)O

Peso molecular

386.25

Reaxy-Rn

9797304

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9797304&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Monoalkyl phosphates Aryl fluorides Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fluorobenzene - Monoalkyl phosphate - Aryl fluoride - Aryl halide - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Azole - 1,2,4-triazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• External Descriptors: triazole antifungal drug - conazole antifungal drug - triazoles

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 19 mg/mL (49.19 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 19
• DMSO (mM) Solubilidad máxima: 49.1909385113269
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 386.250 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 386.07 Da
• Monoisotopic Mass: 386.07 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 511.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1