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CHEBI:87175 - propamidine isethionate

ChEBI IDCHEBI:87175
ChEBI Namepropamidine isethionate
Stars
DefinitionA 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.
Last Modified13 August 2015
SubmitterKevin
DownloadsMolfile
FormulaC17H20N4O2.2C2H6O4S
Net Charge0
Average Mass564.639
Monoisotopic Mass564.15599
SMILESN=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO
InChIInChI=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)
InChIKeyWSOSYBUSMXEYDO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
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).
ChEBI Ontology
Outgoing Relation(s)
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  Source
Propamidine isethionateSUBMITTER
M&B 782ChemIDplus
M + B 782ChemIDplus
Propamidine diisethionateChemIDplus
Brand Name  Source
Golden eye dropsKEGG DRUG
Manual XrefsDatabases
D08436KEGG DRUG
PropamidineWikipedia
Registry NumbersSources
Reaxys:8178459Reaxys
CAS:140-63-6KEGG DRUG
CAS:140-63-6ChemIDplus
Citations