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CHEBI:7977 - pentamidine isethionate
| Formula | C19H24N4O2.2C2H6O4S |
| Net Charge | 0 |
| Average Mass | 592.693 |
| Monoisotopic Mass | 592.18729 |
| SMILES | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO |
| 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) |
| InChIKey | YBVNFKZSMZGRAD-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. |
| Application: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pentamidine isethionate (CHEBI:7977) has part pentamidinium(2+) (CHEBI:64383) |
| pentamidine isethionate (CHEBI:7977) has role trypanocidal drug (CHEBI:36335) |
| pentamidine isethionate (CHEBI:7977) is a organosulfonate salt (CHEBI:64382) |
| IUPAC Name |
|---|
| 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate) |
| Synonyms | Source |
|---|---|
| 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) | ChemIDplus |
| Pentamidine diisethionate | ChemIDplus |
| p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate) | ChemIDplus |
| 4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate | ChemIDplus |
| 4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate) | ChemIDplus |
| 4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate) | ChemIDplus |
| Citations |
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