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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
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| Preferred Name | pentamidine isethionate | |
| Synonyms |
4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate) 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate) Pentamidine diisethionate C23H36N4O10S2 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 |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_7977 |
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| Definition |
An organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid.
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| has role | ||
| 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 |
InChIKey=YBVNFKZSMZGRAD-UHFFFAOYSA-N
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| label |
pentamidine isethionate
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| prefixIRI |
obo2: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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| Synonym |
4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate) 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate) Pentamidine diisethionate C23H36N4O10S2 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
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| xref |
CiteXplore:19125672 CiteXplore:18833075 CiteXplore:19208882 Reaxys:4286775 CiteXplore:18509543 CiteXplore:1589716 CiteXplore:22271285 CiteXplore:18349360 CiteXplore:22281895 CiteXplore:19361701 DrugBank:DB00738 CiteXplore:19126051 ChEMBL:414132 CiteXplore:19356780 CiteXplore:18155842 CiteXplore:18408970 CASRN:140-64-7 KEGG DRUG:D00834
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