EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:7565 - nifedipine

Default Structure
ChEBI IDCHEBI:7565
ChEBI Namenifedipine
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC17H18N2O6
Net Charge0
Average Mass346.339
Monoisotopic Mass346.11649
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
InChIKeyHYIMSNHJOBLJNT-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
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.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Applications:
tocolytic agent  Any compound used to suppress premature labour and immature birth by suppressing uterine contractions.
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
nifedipine (CHEBI:7565) has role calcium channel blocker (CHEBI:38215)
nifedipine (CHEBI:7565) has role human metabolite (CHEBI:77746)
nifedipine (CHEBI:7565) has role tocolytic agent (CHEBI:66993)
nifedipine (CHEBI:7565) has role vasodilator agent (CHEBI:35620)
nifedipine (CHEBI:7565) is a C-nitro compound (CHEBI:35716)
nifedipine (CHEBI:7565) is a dihydropyridine (CHEBI:50075)
nifedipine (CHEBI:7565) is a methyl ester (CHEBI:25248)
IUPAC Name 
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
INNs  Source
nifedipineChemIDplus
nifedipinoChemIDplus
nifedipinumChemIDplus
Synonyms  Source
4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsäuredimethylesterChemIDplus
NifedipineKEGG COMPOUND
Brand Names  Source
AdalatDrugBank
AdapineDrugBank
CoractenDrugBank
NifecardDrugBank
NifecorDrugBank
NifedipresDrugBank
Manual XrefsDatabases
1922DrugCentral
C07266KEGG COMPOUND
D00437KEGG DRUG
DB01115DrugBank
LSM-4176LINCS
NifedipineWikipedia
Registry NumbersSources
Beilstein:497773Beilstein
CAS:21829-25-4NIST Chemistry WebBook
CAS:21829-25-4KEGG COMPOUND
CAS:21829-25-4ChemIDplus