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CHEBI:750499 - simenepag

Default Structure
ChEBI IDCHEBI:750499
ChEBI Namesimenepag
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC23H29NO5S
Net Charge0
Average Mass431.554
Monoisotopic Mass431.17664
SMILESCCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C23H29NO5S/c1-2-3-4-5-20(25)16-6-8-17(9-7-16)24-18(10-13-22(24)26)14-29-15-19-11-12-21(30-19)23(27)28/h6-9,11-12,18,20,25H,2-5,10,13-15H2,1H3,(H,27,28)/t18-,20+/m1/s1
InChIKeyNGKFLYGSJDSBQC-QUCCMNQESA-N
ChEBI Ontology
Outgoing Relation(s)
simenepag (CHEBI:750499) is a pyrrolidines (CHEBI:38260)
INN  Source
simenepagWHO MedNet
Synonyms  Source
AGN 210676ChEMBL
AGN-210676ChEMBL
AGN210676ChEMBL