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:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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:
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