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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | pentamidine isethionate | |
| Synonyms |
4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate) Pentamidine diisethionate p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate) 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) [pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate) 4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate) 4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate) |
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| Definitions |
An organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_7977 |
|
| charge |
0
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| database_cross_reference |
PMID:18155842 PMID:19126051 PMID:19361701 PMID:18833075 Reaxys:4286775 DrugBank:DB00738 PMID:18349360 PMID:22281895 PMID:1589716 PMID:19208882 CAS:140-64-7 PMID:18509543 PMID:22271285 PMID:19125672 PMID:18408970 KEGG:D00834 PMID:19356780
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|
| definition |
An organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid.
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|
| formula |
C23H36N4O10S2
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| has part | ||
| has role | ||
| has_exact_synonym |
4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate)
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate) Pentamidine diisethionate p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate) 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) [pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate) 4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate) 4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate
|
|
| id |
CHEBI:7977
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|
| in_subset | ||
| inchi |
InChI=1S/C19H24N4O2.2C2H6O4S/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;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)
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|
| inchikey |
YBVNFKZSMZGRAD-UHFFFAOYSA-N
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|
| label |
pentamidine isethionate
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|
| mass |
592.68300
|
|
| monoisotopicmass |
592.18729
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|
| notation |
CHEBI:7977
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|
| prefLabel |
pentamidine isethionate
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|
| smiles |
OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
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| treeView | ||
| subClassOf |
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