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CHEBI:135806 - benidipine

ChEBI IDCHEBI:135806
ChEBI Namebenidipine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC28H31N3O6
Net Charge0
Average Mass505.571
Monoisotopic Mass505.22129
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26?/m1/s1
InChIKeyQZVNQOLPLYWLHQ-GEPVFLLWSA-N
ChEBI Ontology
Outgoing Relation(s)
benidipine (CHEBI:135806) is a piperidines (CHEBI:26151)
Synonyms  Source
benidipine hydrochlorideDrugCentral
benidipine HClDrugCentral
conielDrugCentral
Manual XrefsDatabases
3880DrugCentral
Registry NumbersSources
CAS:105979-17-7DrugCentral