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CHEBI:755061 - naldemedine tosylate

Default Structure
ChEBI IDCHEBI:755061
ChEBI Namenaldemedine tosylate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC7H8O3S.C32H34N4O6
Net Charge0
Average Mass742.851
Monoisotopic Mass742.26725
SMILESCc1ccc(S(=O)(=O)O)cc1.[H][C@@]12Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@]([H])(C4)[C@]3(O)CC(C(=O)NC(C)(C)c1nc(-c3ccccc3)no1)=C2O
InChIInChI=1S/C32H34N4O6.C7H8O3S/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39);2-5H,1H3,(H,8,9,10)/t22-,26+,31+,32-;/m1./s1
InChIKeyWCYDLROFMZJJLE-RTMHEQJQSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
laxative  An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.
ChEBI Ontology
Outgoing Relation(s)
naldemedine tosylate (CHEBI:755061) has role laxative (CHEBI:50503)
naldemedine tosylate (CHEBI:755061) is a morphinane alkaloid (CHEBI:25418)
Synonyms  Source
Naldemedine tosilateChEMBL
Naldemedine tosylateChEMBL
Brand Names  Source
RizmoicChEMBL
SymproicChEMBL