MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

nifedipine

	Properties	Image
MNX_ID	MNXM1103904
reference	chebi:7565
formula	C₁₇H₁₈N₂O₆
global charge	0
mol weight	346.339
InChIKey	HYIMSNHJOBLJNT-UHFFFAOYSA-N
InChI	InChI=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
SMILES	COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1=C([N+](=O)[O-])C=CC=C1

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH3:1][C:9]1=[C:13]([C:16](=[O:20])[O:24][CH3:3])[CH:15]([C:11]2=[CH:7][CH:5]=[CH:6][CH:8]=[C:12]2[N+:19]([O-:22])=[O:23])[C:14]([C:17](=[O:21])[O:25][CH3:4])=[C:10]([CH3:2])[NH:18]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9614116 reactomeM:R-ALL-9614116 CHEBI:7565 chebi:7565 HYIMSNHJOBLJNT-UHFFFAOYSA-N	nifedipine 4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethylester Adalat Adapine Coracten Nifecard Nifecor Nifedipine Nifedipres Procardia dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate nifedipino nifedipinum
bigg.metabolite:nfd biggM:nfd sabiork.compound:9380 sabiorkM:9380 kegg.compound:C07266 keggC:C07266 HYIMSNHJOBLJNT-UHFFFAOYSA-N	Nifedipine
kegg.drug:D00437 keggD:D00437 HYIMSNHJOBLJNT-UHFFFAOYSA-N	Nifedipine (JP18/USP/INN) Adalat (TN) Afeditab CR (TN) Procardia (TN)
bigg.metabolite:nifedipine biggM:nifedipine HYIMSNHJOBLJNT-UHFFFAOYSA-N	Nifedipine c
vmhM:nfd vmhmetabolite:nfd HYIMSNHJOBLJNT-UHFFFAOYSA-N	Nifedipine 3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
hmdb:HMDB0015247 HYIMSNHJOBLJNT-UHFFFAOYSA-N	Nifedipine 3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate 4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethylester AWD pharma brand OF nifedipine Adalat Adapine Adcock ingram brand OF nifedipine Afeditab CR BAY a 1040 BAY-a-1040 Bayer brand OF nifedipine Coracten Cordipin Cordipine Corinfar Fenigidin KRKA brand OF nifedipine Korinfar Monohydrochloride, nifedipine Nifangin Nifecard Nifecor Nifedipine bayer brand Nifedipine gtis Nifedipine krka brand Nifedipine monohydrochloride Nifedipine orion brand Nifedipine pfizer brand Nifedipine-gtis Nifedipino Nifedipinum Nifedipres Orion brand OF nifedipine Pfizer brand OF nifedipine Procardia Procardia XL Vascard nifedipine
seed.compound:cpd04486 seedM:cpd04486 HYIMSNHJOBLJNT-UHFFFAOYSA-N	Nifedipine nifedipine
metacyc.compound:CPD-20503 metacycM:CPD-20503 HYIMSNHJOBLJNT-UHFFFAOYSA-N	nifedipine
vmhM:nifedipine vmhmetabolite:nifedipine HYIMSNHJOBLJNT-UHFFFAOYSA-N	nifedipine 3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
hmdb:HMDB15247 biggM:M_nfd biggM:M_nifedipine keggC:M_C07266 keggD:M_D00437 seedM:M_cpd04486 vmhM:M_nfd vmhM:M_nifedipine	secondary/obsolete/fantasy identifier