Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:64355 - posaconazole
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Wikipedia
License
Read full article at Wikipedia
Formula
C37H42F2N8O4
Net Charge
0
Average Mass
700.77740
Monoisotopic Mass
700.32971
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 (Br
o
nsted 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-
[(2
S
,3
S
)-
2-
hydroxypentan-
3-
yl]-
5-
oxo-
1,5-
dihydro-
4
H
-
1,2,4-
triazol-
4-
yl}phenyl)piperazin-
1-
yl]phenoxy}methyl)-
1-
(1
H
-
1,2,4-
triazol-
1-
yl)-
D
-
threo
-
pentitol
INN
Source
posaconazole
KEGG DRUG
Synonyms
Sources
posaconazole
UniProt
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
Types
Sources
21762211
PubMed citation
Europe PMC
21967490
PubMed citation
Europe PMC
22058198
PubMed citation
Europe PMC
22176629
PubMed citation
Europe PMC
22215361
PubMed citation
Europe PMC
22215487
PubMed citation
Europe PMC
22286158
PubMed citation
Europe PMC
22290952
PubMed citation
Europe PMC
22303909
PubMed citation
Europe PMC
22324990
PubMed citation
Europe PMC
22330929
PubMed citation
Europe PMC
22380765
PubMed citation
Europe PMC
22391464
PubMed citation
Europe PMC
22391534
PubMed citation
Europe PMC
22427614
PubMed citation
Europe PMC
Last Modified
08 December 2021