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CHEBI:759799 - odevixibat sesquihydrate

Default Structure
ChEBI IDCHEBI:759799
ChEBI Nameodevixibat sesquihydrate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C37H48N4O8S2.C37H48N4O8S2.H2O.H2O
Net Charge0
Average Mass1535.935
Monoisotopic Mass1534.61441
SMILESCCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1.CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1.O.O.O
InChIInChI=1S/2C37H48N4O8S2.3H2O/c2*1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46;;;/h2*10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46);3*1H2/t2*28-,34+;;;/m00.../s1
InChIKeyUIYFGCAQGONAMU-ZHQCGWDOSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
odevixibat sesquihydrate (CHEBI:759799) is a dipeptide (CHEBI:46761)
Synonyms  Source
Odevixibat (as sesquihydrate)ChEMBL
Odevixibat sesquihydrateChEMBL
Brand Name  Source
BylvayChEMBL