EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230490 - BMS 753

Default Structure
ChEBI IDCHEBI:230490
ChEBI NameBMS 753
Stars
DefinitionBMS 753 is an isotype-selective retinoic acid receptor alpha (RARalpha) agonist
Submitterdelphine
DownloadsMolfile
FormulaC21H21NO4
Net Charge0
Average Mass351.402
Monoisotopic Mass351.14706
SMILESCC1(C)C(=O)C(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
InChIKeyKFBPBWUZXBYJDG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
BMS 753 (CHEBI:230490) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:215307-86-1SUBMITTER