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CHEBI:751589 - simenepag isopropyl

Default Structure
ChEBI IDCHEBI:751589
ChEBI Namesimenepag isopropyl
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC26H35NO5S
Net Charge0
Average Mass473.635
Monoisotopic Mass473.22359
SMILESCCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)OC(C)C)s2)cc1
InChIInChI=1S/C26H35NO5S/c1-4-5-6-7-23(28)19-8-10-20(11-9-19)27-21(12-15-25(27)29)16-31-17-22-13-14-24(33-22)26(30)32-18(2)3/h8-11,13-14,18,21,23,28H,4-7,12,15-17H2,1-3H3/t21-,23+/m1/s1
InChIKeyMSIIJNOQQWRTFC-GGAORHGYSA-N
ChEBI Ontology
Outgoing Relation(s)
simenepag isopropyl (CHEBI:751589) is a pyrrolidines (CHEBI:38260)
Synonyms  Source
AGN-210669ChEMBL
Simenepag isopropylChEMBL