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CHEBI:177726 - flordipine

ChEBI IDCHEBI:177726
ChEBI Nameflordipine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33F3N2O5
Net Charge0
Average Mass510.553
Monoisotopic Mass510.23416
SMILESCCOC(=O)C1=C(C)N(CCN2CCOCC2)C(C)=C(C(=O)OCC)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C26H33F3N2O5/c1-5-35-24(32)21-17(3)31(12-11-30-13-15-34-16-14-30)18(4)22(25(33)36-6-2)23(21)19-9-7-8-10-20(19)26(27,28)29/h7-10,23H,5-6,11-16H2,1-4H3
InChIKeyRSXGUJLKWYUPMC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
flordipine (CHEBI:177726) is a (trifluoromethyl)benzenes (CHEBI:83565)
IUPAC Name 
diethyl 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-4-[2-(triluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
Manual XrefsDatabases
48484ChemSpider
D04193KEGG DRUG
Registry NumbersSources
CAS:77590-96-6ChemIDplus