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

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procainamide

	Properties	Image
MNX_ID	MNXM78089
reference	chebi:8428
formula	C₁₃H₂₁N₃O
global charge	0
mol weight	235.331
InChIKey	REQCZEXYDRLIBE-UHFFFAOYSA-N
InChI	InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
SMILES	CCN(CC)CCNC(=O)C1=CC=C(N)C=C1

MNX internals

InChI (mnx)	InChI=1/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
SMILES (mnx)	[CH3:1][CH2:3][N:16]([CH2:4][CH3:2])[CH2:10][CH2:9][NH:15][C:13]([C:11]1=[CH:6][CH:8]=[C:12]([NH2:14])[CH:7]=[CH:5]1)=[O:17]

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-446596 reactomeM:R-ALL-446596 reactome:R-ALL-446598 reactomeM:R-ALL-446598 CHEBI:8428 chebi:8428 REQCZEXYDRLIBE-UHFFFAOYSA-N	procainamide 4-amino-N-[2-(diethylamino)ethyl]benzamide Biocoryl Procainamide p-Amino-N-(2-diethylaminoethyl)benzamide p-Aminobenzoic diethylaminoethylamide procainamida procainamidum
seed.compound:cpd04585 seedM:cpd04585 kegg.compound:C07401 keggC:C07401 REQCZEXYDRLIBE-UHFFFAOYSA-N REQCZEXYDRLIBE-UHFFFAOYSA-O	Procainamide
kegg.drug:D08421 keggD:D08421 REQCZEXYDRLIBE-UHFFFAOYSA-N	Procainamide (INN)
hmdb:HMDB0015169 REQCZEXYDRLIBE-UHFFFAOYSA-N	Procainamide 4-amino-N-[2-(diethylamino)ethyl]benzamide Amide, procaine Apo-procainamide Apotex brand OF procainamide hydrochloride Apothecon brand OF procainamide hydrochloride Biocoryl Bristol-myers squibb brand OF procainamide hydrochloride Hydrochloride, procainamide Monarch brand OF procainamide hydrochloride Novocainamide Novocamid Parke davis brand OF procainamide hydrochloride Pfizer brand OF procainamide hydrochloride Procainamida Procainamide hydrochloride Procainamidum Procaine amide Procamide Procan Procan SR Procanbid Pronestyl Rhythmin Sidmark brand OF procainamide hydrochloride Uriach brand OF procainamide hydrochloride p-Amino-N-(2-diethylaminoethyl)benzamide p-Aminobenzoic diethylaminoethylamide procainamide
hmdb:HMDB15169 keggC:M_C07401 keggD:M_D08421 seedM:M_cpd04585	secondary/obsolete/fantasy identifier