CHEBI:31641 - gabexate methanesulfonate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name gabexate methanesulfonate
ChEBI ID CHEBI:31641
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C16H24N3O4.CH3O3S
C17H27N3O7S
Net Charge 0
Average Mass 417.479
Monoisotopic Mass 417.15697
InChI InChI=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)
InChIKey DNTNDFLIKUKKOC-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1)C(OCC)=O)OC(CCCCCNC(N)=N)=O.S(=O)(=O)(C)O
ChEBI Ontology
Outgoing 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 Sources
Gabexate mesilate KEGG COMPOUND
Gabexate monomethanesulfonate KEGG COMPOUND
Manual Xref Database
D01672 KEGG DRUG
View more database links
Registry Number Type Source
56974-61-9 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017