CHEBI:87175 - propamidine isethionate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name propamidine isethionate
ChEBI ID CHEBI:87175
Definition A guanidinium salt obtained by combining propamidine with two molar equivalents of isethionic acid. Used for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kevin
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C21H32N4O10S2
Net Charge 0
Average Mass 564.63000
Monoisotopic Mass 564.15599
InChI InChI=1S/C17H20N4O2.2C2H6O4S/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21;2*3-1-2-7(4,5)6/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21);2*3H,1-2H2,(H,4,5,6)
InChIKey WSOSYBUSMXEYDO-UHFFFAOYSA-N
SMILES OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application(s): antiseptic drug
A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing propamidine isethionate (CHEBI:87175) has part propamidine(2+) (CHEBI:87463)
propamidine isethionate (CHEBI:87175) has role antimicrobial agent (CHEBI:33281)
propamidine isethionate (CHEBI:87175) has role antiseptic drug (CHEBI:48218)
propamidine isethionate (CHEBI:87175) is a guanidinium salt (CHEBI:83635)
propamidine isethionate (CHEBI:87175) is a organosulfonate salt (CHEBI:64382)
IUPAC Names
2-hydroxyethane-1-sulfonic acid—4,4'-[propane-1,3-diylbis(oxy)]di(benzene-1-carboximidamide) (2/1)
[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(iminomethanaminium) bis(2-hydroxyethane-1-sulfonate)
Synonyms Sources
M + B 782 ChemIDplus
M&B 782 ChemIDplus
Propamidine diisethionate ChemIDplus
Propamidine isethionate SUBMITTER
Brand Name Source
Golden eye drops KEGG DRUG
Manual Xrefs Databases
D08436 KEGG DRUG
Propamidine Wikipedia
View more database links
Registry Numbers Types Sources
140-63-6 CAS Registry Number ChemIDplus
140-63-6 CAS Registry Number KEGG DRUG
8178459 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23601234 PubMed citation Europe PMC
Last Modified
13 August 2015