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

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dimetacrine

	Properties	Image
MNX_ID	MNXM124973
reference	chebi:135233
formula	C₂₀H₂₆N₂
global charge	0
mol weight	294.442
InChIKey	RYQOGSFEJBUZBX-UHFFFAOYSA-N
InChI	InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3
SMILES	CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3
SMILES (mnx)	[CH3:1][C:20]1([CH3:2])[C:16]2=[CH:10][CH:5]=[CH:7][CH:12]=[C:18]2[N:22]([CH2:15][CH2:9][CH2:14][N:21]([CH3:3])[CH3:4])[C:19]2=[CH:13][CH:8]=[CH:6][CH:11]=[C:17]21

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:135233 chebi:135233 RYQOGSFEJBUZBX-UHFFFAOYSA-N	dimetacrine dimetacrino dimetacrinum dimethacrin dimethacrine
kegg.drug:D02565 keggD:D02565 RYQOGSFEJBUZBX-UHFFFAOYSA-N	Dimetacrine (INN)
hmdb:HMDB0251373 RYQOGSFEJBUZBX-UHFFFAOYSA-N	Dimetacrine 10-(3-(Dimethylamino)propyl)-9,9-dimethylacridan tartrate 3-(9,9-Dimethyl-10(9H)-acridinyl)-N,N-dimethyl-1-propanamine Dimetacrine bitartate Dimetacrine tartate Dimethacrine Dimethacrine tartrate Dimethacrine tartrate, (1:1)(R-(r,r))-isomer Isotonil Istonil Miroistonil [3-(9,9-dimethyl-9,10-dihydroacridin-10-yl)propyl]dimethylamine dimetacrine
keggD:M_D02565	secondary/obsolete/fantasy identifier