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CHEBI:70751 - dabigatran etexilate(1+)

ChEBI IDCHEBI:70751
ChEBI Namedabigatran etexilate(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of dabigatran etexilate.
Last Modified24 October 2012
SubmitterSteve
DownloadsMolfile
FormulaH.C34H41N7O5
Net Charge+1
Average Mass628.754
Monoisotopic Mass628.32419
SMILESCCCCCCOC(=O)/N=C(/N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.[H+]
InChIInChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)/p+1
InChIKeyKSGXQBZTULBEEQ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
dabigatran etexilate(1+) (CHEBI:70751) is a organic cation (CHEBI:25697)
dabigatran etexilate(1+) (CHEBI:70751) is conjugate acid of dabigatran etexilate (CHEBI:70746)
Incoming Relation(s)
dabigatran etexilate methanesulfonate (CHEBI:70743) has part dabigatran etexilate(1+) (CHEBI:70751)
dabigatran etexilate (CHEBI:70746) is conjugate base of dabigatran etexilate(1+) (CHEBI:70751)
Synonym  Source
dabigatran etexilate cationChEBI