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

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felodipine

	Properties	Image
MNX_ID	MNXM53176
reference	chebi:585948
formula	C₁₈H₁₉Cl₂NO₄
global charge	0
mol weight	384.259
InChIKey	RZTAMFZIAATZDJ-UHFFFAOYSA-N
InChI	InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
SMILES	CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1=CC=CC(Cl)=C1Cl

MNX internals

InChI (mnx)	InChI=1/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3/t15?
SMILES (mnx)	[CH3:1][CH2:5][O:25][C:18]([C:14]1=[C:10]([CH3:3])[NH:21][C:9]([CH3:2])=[C:13]([C:17](=[O:22])[O:24][CH3:4])[CH:15]1[C:11]1=[C:16]([Cl:20])[C:12]([Cl:19])=[CH:8][CH:6]=[CH:7]1)=[O:23]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9614123 reactomeM:R-ALL-9614123 CHEBI:585948 chebi:585948 RZTAMFZIAATZDJ-UHFFFAOYSA-N	felodipine (+-)-ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate 3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid ethyl methyl ester FELODIPINE ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate felodipina felodipinum
kegg.drug:D00319 keggD:D00319 RZTAMFZIAATZDJ-UHFFFAOYSA-N	Felodipine (JP18/USP/INN) Plendil (TN)
hmdb:HMDB0015158 RZTAMFZIAATZDJ-UHFFFAOYSA-N	Felodipine (+-)-Ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate (+-)-Ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid 1a Brand OF felodipine 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylic acid 3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate ethyl methyl ester 4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid ethyl methyl ester AbZ brand OF felodipine Agon Aliud brand OF felodipine Alphapharm brand OF felodipine Alpharma brand OF felodipine Astra brand OF felodipine AstraZeneca brand OF felodipine Aventis brand OF felodipine Azupharma brand OF felodipine BC Brand OF felodipine Betapharm brand OF felodipine CT Arzneimittel brand OF felodipine CT-Arzneimittel brand OF felodipine DL-Felodipine Felo biochemie Felo puren Felo-puren Felobeta Felocor Felodipin 1a pharma Felodipin abz Felodipin al Felodipin azu Felodipin dura Felodipin heumann Felodipin ratiopharm Felodipin stada Felodipin von CT Felodipin-ratiopharm Felodipina Felodipinum Felodur Felogamma Fensel Flodil Heumann brand OF felodipine Heumann, felodipin Hexal brand OF felodipine Hoechst brand OF felodipine Merck dura brand OF felodipine Modip Munobal Perfudal Pharmaceutica astra brand OF felodipine Pharmacia spain brand OF felodipine Plendil Promed brand OF felodipine Ratiopharm brand OF felodipine Renedil Stadapharm brand OF felodipine TheraPharm brand OF felodipine Von CT, felodipin Woerwag brand OF felodipine felodipine
hmdb:HMDB15158 chebi:49383 chebi:4996 keggD:M_D00319	secondary/obsolete/fantasy identifier