CHEBI:64355 - posaconazole

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ChEBI Name posaconazole
ChEBI ID CHEBI:64355
Definition An N-arylpiperazine that consists of piperazine carrying two 4-substituted phenyl groups at positions 1 and 4. A triazole antifungal drug.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
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Formula C37H42F2N8O4
Net Charge 0
Average Mass 700.77740
Monoisotopic Mass 700.330
InChI InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1
InChIKey RAGOYPUPXAKGKH-XAKZXMRKSA-N
SMILES CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
(via triazole antifungal drug )
(via conazole antifungal drug )
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via triazole antifungal agent )
(via conazole antifungal agent )
ergosterol biosynthesis inhibitor
Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol.
(via conazole antifungal agent )
Application(s): trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
(via triazole antifungal drug )
(via conazole antifungal drug )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing posaconazole (CHEBI:64355) has role trypanocidal drug (CHEBI:36335)
posaconazole (CHEBI:64355) is a N-arylpiperazine (CHEBI:46848)
posaconazole (CHEBI:64355) is a aromatic ether (CHEBI:35618)
posaconazole (CHEBI:64355) is a conazole antifungal drug (CHEBI:87071)
posaconazole (CHEBI:64355) is a organofluorine compound (CHEBI:37143)
posaconazole (CHEBI:64355) is a oxolanes (CHEBI:26912)
posaconazole (CHEBI:64355) is a triazole antifungal drug (CHEBI:87101)
posaconazole (CHEBI:64355) is a triazoles (CHEBI:35727)
IUPAC Name
2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
INN Source
posaconazole KEGG DRUG
Synonyms Sources
Sch 56592 ChemIDplus
SCH56592 ChEBI
Schering 56592 ChEBI
Brand Name Source
Noxafil DrugBank
Manual Xrefs Databases
3483 DrugCentral
D02555 KEGG DRUG
DB01263 DrugBank
Posaconazole Wikipedia
US5661151 Patent
WO9517407 Patent
View more database links
Registry Numbers Types Sources
171228-49-2 CAS Registry Number ChemIDplus
171228-49-2 CAS Registry Number KEGG DRUG
8379448 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017