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CHEBI:45081 - pentamidine

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ChEBI Name pentamidine
ChEBI ID CHEBI:45081
Definition A diether compound consisting of pentane-1,5-diol with both hydroxyls bearing 4-amidinophenyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45077, CHEBI:7976
Supplier Information
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Formula C19H24N4O2
Net Charge 0
Average Mass 340.41950
Monoisotopic Mass 340.190
InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChIKey XDRYMKDFEDOLFX-UHFFFAOYSA-N
SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Roles Classification
Biological Role(s): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
Application(s): trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pentamidine (CHEBI:45081) has role antifungal agent (CHEBI:35718)
pentamidine (CHEBI:45081) has role trypanocidal drug (CHEBI:36335)
pentamidine (CHEBI:45081) is a carboxamidine (CHEBI:35359)
pentamidine (CHEBI:45081) is a diether (CHEBI:46786)
pentamidine (CHEBI:45081) is conjugate base of pentamidinium(2+) (CHEBI:64383)
Incoming pentamidinium(2+) (CHEBI:64383) is conjugate acid of pentamidine (CHEBI:45081)
IUPAC Name
4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide
INN Source
pentamidine KEGG DRUG
Synonyms Sources
1,5-bis(4-amidinophenoxy)pentane ChEBI
4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide ChemIDplus
4,4'-(pentamethylenedioxy)dibenzamidine ChemIDplus
4,4'-Diamidinodiphenoxypentane DrugBank
p,p'-(pentamethylenedioxy)dibenzamidine ChemIDplus
Pentamidine KEGG COMPOUND
Database Links Databases
C07420 KEGG COMPOUND
D08333 KEGG DRUG
DB00738 DrugBank
EP975608 Patent
GB507565 Patent
HMDB14876 HMDB
LSM-4540 LINCS
Pentamidine Wikipedia
PNT PDBeChem
US2006235001 Patent
US2008167296 Patent
US2008214569 Patent
US2394003 Patent
US7115665 Patent
View more database links
Registry Numbers Types Sources
100-33-4 CAS Registry Number KEGG COMPOUND
100-33-4 CAS Registry Number ChemIDplus
3159790 Beilstein Registry Number ChemIDplus
3159790 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11438428 PubMed citation Europe PMC
14603035 PubMed citation Europe PMC
15711592 PubMed citation Europe PMC
18971316 PubMed citation Europe PMC
19966562 PubMed citation Europe PMC
22046004 PubMed citation Europe PMC
22093811 PubMed citation Europe PMC
22200378 PubMed citation Europe PMC
22327112 PubMed citation Europe PMC
Last Modified
25 February 2016
General Comment
2014-07-15 Pentamidinecan be found in blood and urine samples of individuals who have taken this drug.