CHEBI:177726 - flordipine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name flordipine
ChEBI ID CHEBI:177726
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H33F3N2O5
Net Charge 0
Average Mass 510.554
Monoisotopic Mass 510.23416
InChI InChI=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
InChIKey RSXGUJLKWYUPMC-UHFFFAOYSA-N
SMILES FC(F)(F)C=1C(C2C(=C(N(CCN3CCOCC3)C(=C2C(OCC)=O)C)C)C(OCC)=O)=CC=CC1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
48484 ChemSpider
D04193 KEGG DRUG
View more database links
Registry Number Type Source
77590-96-6 CAS Registry Number ChemIDplus