EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:31769 - Lemildipine

ChEBI IDCHEBI:31769
ChEBI NameLemildipine
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC20H22Cl2N2O6
Net Charge0
Average Mass457.310
Monoisotopic Mass456.08549
SMILESCOC(=O)C1=C(C)NC(COC(N)=O)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N2O6/c1-9(2)30-19(26)16-13(8-29-20(23)27)24-10(3)14(18(25)28-4)15(16)11-6-5-7-12(21)17(11)22/h5-7,9,15,24H,8H2,1-4H3,(H2,23,27)
InChIKeyWTOVRSWDBLIFHU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Lemildipine (CHEBI:31769) is a dihydropyridine (CHEBI:50075)
Lemildipine (CHEBI:31769) is a isopropyl ester (CHEBI:35725)
Lemildipine (CHEBI:31769) is a methyl ester (CHEBI:25248)
Synonym  Source
LemildipineKEGG COMPOUND
Manual XrefsDatabases
D01151KEGG DRUG
Registry NumbersSources
CAS:125729-29-5KEGG COMPOUND