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

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bethanidine

	Properties	Image
MNX_ID	MNXM103188
reference	chebi:37937
formula	C₁₀H₁₅N₃
global charge	0
mol weight	177.251
InChIKey	NIVZHWNOUVJHKV-UHFFFAOYSA-N
InChI	InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)
SMILES	C/N=C(\NC)NCC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)
SMILES (mnx)	[CH3:1][N:11]=[C:10]([NH:12][CH3:2])[NH:13][CH2:8][C:9]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]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:37937 chebi:37937 NIVZHWNOUVJHKV-UHFFFAOYSA-N	bethanidine 1-benzyl-2,3-dimethylguanidine N,N'-dimethyl-N''-(phenylmethyl)-guanidine betanidina betanidine betanidinum
hmdb:HMDB0014362 NIVZHWNOUVJHKV-UHFFFAOYSA-N	Bethanidine (E)-3-benzyl-1,2-dimethylguanidine Batel Betanidina Betanidine Betanidinum Bethanidine sulfate Bethanidine sulphate Bethanidine, sulfate (2:1) N,N'-dimethyl-n''-(phenylmethyl)-guanidine Sulfate, bethanidine Wellcome brand OF betanidine sulfate bethanidine
hmdb:HMDB14362	secondary/obsolete/fantasy identifier