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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 Roles: | antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. 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 anti-HIV agent (CHEBI:64946) |
| pentamidine isethionate (CHEBI:7977) has role antifungal agent (CHEBI:35718) |
| pentamidine isethionate (CHEBI:7977) has role antileishmanial agent (CHEBI:70868) |
| pentamidine isethionate (CHEBI:7977) has role antimicrobial agent (CHEBI:33281) |
| pentamidine isethionate (CHEBI:7977) has role antineoplastic agent (CHEBI:35610) |
| pentamidine isethionate (CHEBI:7977) has role trypanocidal drug (CHEBI:36335) |
| pentamidine isethionate (CHEBI:7977) is a aromatic ether (CHEBI:35618) |
| pentamidine isethionate (CHEBI:7977) is a organic molecular entity (CHEBI:50860) |
| 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'-Diamidino-alpha,omega-diphenoxypentane isethionate | ChemIDplus |
| 4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate) | ChemIDplus |
| 4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate) | ChemIDplus |
| 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) | ChemIDplus |
| MB 800 | ChEMBL |
| NSC-620107 | ChEMBL |
| Brand Names | Source |
|---|---|
| Nebupent | ChEMBL |
| Pentam | ChEMBL |
| Citations |
|---|