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CHEBI:756246 - barixibat

Default Structure
ChEBI IDCHEBI:756246
ChEBI Namebarixibat
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC42H55N5O8
Net Charge0
Average Mass757.929
Monoisotopic Mass757.40506
SMILESO=C(CCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)Nc1ccccc1[C@@H](Nc1ccccn1)[C@H](c1ccccn1)[C@H](O)c1ccccc1
InChIInChI=1S/C42H55N5O8/c48-28-33(49)39(52)40(53)41(54)42(55)45-27-15-6-4-2-1-3-5-10-24-35(50)46-31-21-12-11-20-30(31)37(47-34-23-14-17-26-44-34)36(32-22-13-16-25-43-32)38(51)29-18-8-7-9-19-29/h7-9,11-14,16-23,25-26,33,36-41,48-49,51-54H,1-6,10,15,24,27-28H2,(H,44,47)(H,45,55)(H,46,50)/t33-,36+,37-,38-,39-,40+,41-/m1/s1
InChIKeyLNLNLJFTSXTELN-TVKRVUGASA-N
ChEBI Ontology
Outgoing Relation(s)
barixibat (CHEBI:756246) is a aromatic compound (CHEBI:33655)
INN  Source
barixibatWHO MedNet