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CHEBI:31641 - gabexate methanesulfonate

ChEBI IDCHEBI:31641
ChEBI Namegabexate methanesulfonate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC16H23N3O4.CH4O3S
Net Charge0
Average Mass417.484
Monoisotopic Mass417.15697
SMILESCCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1.CS(=O)(=O)O
InChIInChI=1S/C16H23N3O4.CH4O3S/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18;1-5(2,3)4/h7-10H,2-6,11H2,1H3,(H4,17,18,19);1H3,(H,2,3,4)
InChIKeyDNTNDFLIKUKKOC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
gabexate methanesulfonate (CHEBI:31641) is a benzoate ester (CHEBI:36054)
gabexate methanesulfonate (CHEBI:31641) is a guanidines (CHEBI:24436)
gabexate methanesulfonate (CHEBI:31641) is a methanesulfonate salt (CHEBI:38037)
Synonyms  Source
Gabexate mesilateKEGG COMPOUND
Gabexate monomethanesulfonateKEGG COMPOUND
Manual XrefsDatabases
D01672KEGG DRUG
Registry NumbersSources
CAS:56974-61-9KEGG COMPOUND