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Chemical Entities of Biological Interest Ontology
| Preferred Name | pentamidine | |
| Synonyms |
4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide 4,4'-(pentamethylenedioxy)dibenzamidine pentamidin pentamidine p,p'-(pentamethylenedioxy)dibenzamidine 1,5-bis(4-amidinophenoxy)pentane 4,4'-Diamidinodiphenoxypentane Pentamidine 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide |
|
| Definitions |
A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_45081 |
|
| charge |
0
|
|
| database_cross_reference |
Patent:US7115665 Patent:US2008167296 KEGG:D08333 PMID:28074607 PMID:26903605 PMID:26882015 PMID:27729250 PMID:22093811 Patent:GB507565 PMID:15711592 PMID:27011917 PMID:26648589 PMID:22327112 Drug_Central:2090 PMID:26418240 PMID:28167598 PMID:22046004 PMID:26295040 PMID:20144237 PMID:27297108 PMID:7542607 PMID:14603035 PMID:26824946 PMID:26828608 PMID:19966562 PMID:26938448 PMID:11584934 Wikipedia:Pentamidine PMID:22200378 Patent:EP975608 PMID:28263303 Patent:US2006235001 DrugBank:DB00738 PMID:27135970 PMID:11438428 PMID:27357655 PMID:26431253 PMID:26515653 KEGG:C07420 PMID:26606757 PMID:26052915 Patent:US2394003 PMID:27600039 Beilstein:3159790 PMID:26734860 PMID:18971316 Reaxys:3159790 PMID:10917591 HMDB:HMDB0014876 PMID:20599360 PMID:26344166 PMID:26117647 PMID:10415905 PMID:27353022 CAS:100-33-4 LINCS:LSM-4540 Patent:US2008214569 PMID:18346045 PMID:27164533 PMID:7690919 PMID:8841838 PMID:27214074 PDBeChem:PNT
|
|
| definition |
A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.
|
|
| formula |
C19H24N4O2
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_130181 http://purl.obolibrary.org/obo/CHEBI_63673 http://purl.obolibrary.org/obo/CHEBI_136651 http://purl.obolibrary.org/obo/CHEBI_36335 http://purl.obolibrary.org/obo/CHEBI_67079 http://purl.obolibrary.org/obo/CHEBI_35718 |
|
| has_alternative_id |
CHEBI:7976 CHEBI:45077
|
|
| has_exact_synonym |
Pentamidine 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide 4,4'-(pentamethylenedioxy)dibenzamidine pentamidin pentamidine p,p'-(pentamethylenedioxy)dibenzamidine 1,5-bis(4-amidinophenoxy)pentane 4,4'-Diamidinodiphenoxypentane
|
|
| id |
CHEBI:45081
|
|
| in_subset | ||
| 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
|
|
| is conjugate base of | ||
| label |
pentamidine
|
|
| mass |
340.420
|
|
| monoisotopicmass |
340.18993
|
|
| notation |
CHEBI:45081
|
|
| prefLabel |
pentamidine
|
|
| smiles |
C(CCCOC1=CC=C(C=C1)C(N)=N)COC2=CC=C(C=C2)C(N)=N
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35618 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 |
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