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

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bromazine

	Properties	Image
MNX_ID	MNXM44726
reference	chebi:59177
formula	C₁₇H₂₀BrNO
global charge	0
mol weight	334.257
InChIKey	NUNIWXHYABYXKF-UHFFFAOYSA-N
InChI	InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
SMILES	CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1

MNX internals

InChI (mnx)	InChI=1/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3/t17?
SMILES (mnx)	[CH3:1][N:19]([CH3:2])[CH2:12][CH2:13][O:20][CH:17]([C:14]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:15]1=[CH:9][CH:11]=[C:16]([Br:18])[CH:10]=[CH:8]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:59177 chebi:59177 NUNIWXHYABYXKF-UHFFFAOYSA-N	bromazine 2-(p-bromo-alpha-phenylbenzyloxy)-N,N-dimethylethylamine 2-[(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine beta-(p-bromobenzhydryloxy)ethyldimethylamine beta-dimethylaminoethyl p-bromobenzhydryl ether bromazina bromazinum bromodiphenhydramine
hmdb:HMDB0015367 NUNIWXHYABYXKF-UHFFFAOYSA-N	Bromodiphenhydramine 2-(p-Bromo-a-phenylbenzyloxy)-N,N-dimethylethylamine 2-(p-Bromo-alpha-phenylbenzyloxy)-N,N-dimethylethylamine Ambodryl Amodryl Bromazin Bromazina Bromazine Bromazinum Bromdiphenhydramine Bromodiphenhydramine hydrochloride b-(p-Bromobenzhydryloxy)ethyldimethylamine b-Dimethylaminoethyl p-bromobenzhydryl ether beta-(p-Bromobenzhydryloxy)ethyldimethylamine beta-(p-bromobenzhydryloxy)ethyldimethylamine beta-Dimethylaminoethyl p-bromobenzhydryl ether beta-dimethylaminoethyl p-bromobenzhydryl ether bromodiphenhydramine {2-[(4-bromophenyl)(phenyl)methoxy]ethyl}dimethylamine
hmdb:HMDB15367	secondary/obsolete/fantasy identifier