CHEBI:70751 - dabigatran etexilate(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dabigatran etexilate(1+)
ChEBI ID CHEBI:70751
Definition An organic cation that is the conjugate acid of dabigatran etexilate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C34H42N7O5
Net Charge +1
Average Mass 628.74120
Monoisotopic Mass 628.32419
InChI InChI=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
InChIKey KSGXQBZTULBEEQ-UHFFFAOYSA-O
SMILES [H+].CCCCCCOC(=O)\N=C(\N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1
ChEBI Ontology
Outgoing 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 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 cation ChEBI
Last Modified
24 October 2012