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CHEBI:755890 - bms-986104

Default Structure
ChEBI IDCHEBI:755890
ChEBI Namebms-986104
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H35NO
Net Charge0
Average Mass329.528
Monoisotopic Mass329.27186
SMILESCCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1
InChIInChI=1S/C22H35NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3/t17-,21+,22-/m1/s1
InChIKeyBPMMYKAHRIEVDH-VOQZNFBZSA-N
Roles Classification
Application:
antirheumatic drug  A drug used to treat rheumatoid arthritis.
ChEBI Ontology
Outgoing Relation(s)
bms-986104 (CHEBI:755890) has role antirheumatic drug (CHEBI:35842)
bms-986104 (CHEBI:755890) is a tetralins (CHEBI:36786)
Synonym  Source
BMS-986104ChEMBL
Citations