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

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bepridil

	Properties	Image
MNX_ID	MNXM43695
reference	chebi:3061
formula	C₂₄H₃₄N₂O
global charge	0
mol weight	366.549
InChIKey	UIEATEWHFDRYRU-UHFFFAOYSA-N
InChI	InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
SMILES	CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1

MNX internals

InChI (mnx)	InChI=1/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24?
SMILES (mnx)	[CH3:1][CH:21]([CH3:2])[CH2:19][O:27][CH2:20][CH:24]([CH2:18][N:26]([CH2:17][C:22]1=[CH:11][CH:5]=[CH:3][CH:6]=[CH:12]1)[C:23]1=[CH:13][CH:7]=[CH:4][CH:8]=[CH:14]1)[N:25]1[CH2:15][CH2:9][CH2:10][CH2:16]1

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
CHEBI:3061 chebi:3061 UIEATEWHFDRYRU-UHFFFAOYSA-N	bepridil Bepadin Bepridil N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline
seed.compound:cpd04205 seedM:cpd04205 kegg.compound:C06847 keggC:C06847 UIEATEWHFDRYRU-UHFFFAOYSA-N UIEATEWHFDRYRU-UHFFFAOYSA-O	Bepridil
kegg.drug:D07520 keggD:D07520 UIEATEWHFDRYRU-UHFFFAOYSA-N	Bepridil (INN) Bepadin (TN)
hmdb:HMDB0015374 UIEATEWHFDRYRU-UHFFFAOYSA-N	Bepridil 1978 CERM 1978-CERM Bedapin Bepadin Bepridil monohydrochloride Bepridil monohydrochloride, alpha isomer Bepridil monohydrochloride, alpha-isomer Bepridil monohydrochloride, monohydrate Bepridil, (+)-isomer Bepridil, (+-)-isomer Bepridil, (-)-isomer Bepridil, alpha isomer Bepridil, alpha-isomer CERM 1978 CERM-1978 Cordium Monohydrochloride, alpha-isomer bepridil Monohydrochloride, bepridil N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline Nourypharma brand OF bepridil hydrochloride Riom brand OF bepridil hydrochloride Unicordium Vascor Wallace brand OF bepridil hydrochloride bepridil
hmdb:HMDB15374 keggC:M_C06847 keggD:M_D07520 seedM:M_cpd04205	secondary/obsolete/fantasy identifier