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CHEBI:85976 - edoxaban(1+)

ChEBI IDCHEBI:85976
ChEBI Nameedoxaban(1+)
Stars
DefinitionAn organic cation obtained by protonation of edoxaban.
Last Modified9 June 2015
SubmitterSteve
DownloadsMolfile
FormulaH.C24H30ClN7O4S
Net Charge+1
Average Mass549.077
Monoisotopic Mass548.18413
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.[H+]
InChIInChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/p+1/t13-,15-,17+/m0/s1
InChIKeyHGVDHZBSSITLCT-JLJPHGGASA-O
ChEBI Ontology
Outgoing Relation(s)
edoxaban(1+) (CHEBI:85976) is a organic cation (CHEBI:25697)
edoxaban(1+) (CHEBI:85976) is conjugate acid of edoxaban (CHEBI:85973)
Incoming Relation(s)
edoxaban tosylate (CHEBI:85975) has part edoxaban(1+) (CHEBI:85976)
edoxaban (CHEBI:85973) is conjugate base of edoxaban(1+) (CHEBI:85976)
Synonym  Source
edoxaban cationChEBI