EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2669 - amlodipine benzenesulfonate

Default Structure
ChEBI IDCHEBI:2669
ChEBI Nameamlodipine benzenesulfonate
Stars
DefinitionThe benzenesulfonate salt of amlodipine.
Last Modified11 June 2015
DownloadsMolfile
FormulaC20H25ClN2O5.C6H6O3S
Net Charge0
Average Mass567.060
Monoisotopic Mass566.14896
SMILESCCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1
InChIInChI=1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)
InChIKeyZPBWCRDSRKPIDG-UHFFFAOYSA-N
Roles Classification
Biological Role:
calcium channel blocker  One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
amlodipine benzenesulfonate (CHEBI:2669) has part amlodipine (CHEBI:2668)
amlodipine benzenesulfonate (CHEBI:2669) has role antihypertensive agent (CHEBI:35674)
amlodipine benzenesulfonate (CHEBI:2669) has role calcium channel blocker (CHEBI:38215)
amlodipine benzenesulfonate (CHEBI:2669) has role vasodilator agent (CHEBI:35620)
amlodipine benzenesulfonate (CHEBI:2669) is a organosulfonate salt (CHEBI:64382)
Incoming Relation(s)
Prestalia (CHEBI:85999) has part amlodipine benzenesulfonate (CHEBI:2669)
IUPAC Name 
3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate benzenesulfonate
INNs  Source
amlodipineChEBI
amlodipinoDrugBank
amlodipinumDrugBank
Synonyms  Source
Amlodipine besilateKEGG DRUG
Amlodipine besylateKEGG DRUG
Manual XrefsDatabases
D00615KEGG DRUG
DB00381DrugBank
Registry NumbersSources
Beilstein:8378713Beilstein
CAS:111470-99-6KEGG DRUG
CAS:111470-99-6ChemIDplus