Fosfluconazole - 10mM in DMSO , CAS No.194798-83-9

CAS: 194798-83-9 Cat. No.: F422378 Formula: C₁₃H₁₃F₂N₆O₄P Peso molecolare: 386.25 Numero EC: 112-751-2

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

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

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

ALogP

0.678

hba_count

5

Legame rotabile

7

Nomi e identificatori

Pubchem Sid

528772413

Sorrisi canonici

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)

Isomeri SMILES

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

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 19
• DMSO (mM) Solubilità massima: 49.1909385113269
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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