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CHEBI:7565 - nifedipine

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:
vasodilator agent  A drug used to cause dilation of the blood vessels.
tocolytic agent  Any compound used to suppress premature labour and immature birth by suppressing uterine contractions.
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
nifedipinumChemIDplus
nifedipinoChemIDplus
nifedipineChemIDplus
Synonyms  Source
NifedipineKEGG COMPOUND
4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsäuredimethylesterChemIDplus
Brand Names  Source
AdalatDrugBank
ProcardiaDrugBank
AdapineDrugBank
CoractenDrugBank
NifedipresDrugBank
NifecorDrugBank
Manual XrefsDatabases
C07266KEGG COMPOUND
D00437KEGG DRUG
DB01115DrugBank
NifedipineWikipedia
LSM-4176LINCS
1922DrugCentral
Registry NumbersSources
Beilstein:497773Beilstein
CAS:21829-25-4KEGG COMPOUND
CAS:21829-25-4ChemIDplus
CAS:21829-25-4NIST Chemistry WebBook