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CHEBI:169939 - camostat(1+)

ChEBI IDCHEBI:169939
ChEBI Namecamostat(1+)
Stars
DefinitionA guanidinium ion resulting from the protonation of the guanidyl group of camostat. Major microspecies at pH 7.3.
Last Modified13 April 2021
SubmitterAdnan
DownloadsMolfile
FormulaC20H23N4O5
Net Charge+1
Average Mass399.427
Monoisotopic Mass399.16630
SMILESCN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(N)=[NH2+])cc2)cc1
InChIInChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)/p+1
InChIKeyXASIMHXSUQUHLV-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
camostat(1+) (CHEBI:169939) is a guanidinium ion (CHEBI:60251)
camostat(1+) (CHEBI:169939) is conjugate acid of camostat (CHEBI:135632)
Incoming Relation(s)
camostat mesylate (CHEBI:31347) has part camostat(1+) (CHEBI:169939)
camostat (CHEBI:135632) is conjugate base of camostat(1+) (CHEBI:169939)
IUPAC Name 
amino{4-[(4-{2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl}phenoxy)carbonyl]anilino}methaniminium
Synonym  Source
camostat cationChEBI