pentamidine isethionate
CHEBI:7977
·resolve ·ANTIPROTOZOAL
·EXACT
SEEDED
An organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid. — ChEBI
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C19H24N4O2.2C2H6O4S |
|---|
| Charge | 0 |
|---|
| Average mass | 592.693 Da |
|---|
| Monoisotopic mass | 592.18729 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | YBVNFKZSMZGRAD-UHFFFAOYSA-N |
|---|
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)
Also called
- 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate) (EXACT_SYNONYM)— chebi
- 4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate) (EXACT_SYNONYM)— chebi
- 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) (EXACT_SYNONYM)— chebi
- 4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate (EXACT_SYNONYM)— chebi
- 4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate) (EXACT_SYNONYM)— chebi
- Pentamidine diisethionate (EXACT_SYNONYM)— chebi
- [pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate) (EXACT_SYNONYM)— chebi
- p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate) (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:7977 |
pentamidine isethionate |
antibioticmech:chebi-64fad20f18 |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.