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CHEBI:183814 - 2-(4-(4-Nitrophenyl)Butan-2-Ylamino)-1-(4-Methoxyphenyl)Ethanol Hydrochloride

ChEBI IDCHEBI:183814
ChEBI Name2-(4-(4-Nitrophenyl)Butan-2-Ylamino)-1-(4-Methoxyphenyl)Ethanol Hydrochloride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N2O4.HCl
Net Charge0
Average Mass380.872
Monoisotopic Mass380.15028
SMILESCOc1ccc(C(O)CNC(C)CCc2ccc([N+](=O)[O-])cc2)cc1.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-14(3-4-15-5-9-17(10-6-15)21(23)24)20-13-19(22)16-7-11-18(25-2)12-8-16;/h5-12,14,19-20,22H,3-4,13H2,1-2H3;1H
InChIKeyWJDPXYJBBJAWFE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
ChEBI Ontology
Outgoing Relation(s)
2-(4-(4-Nitrophenyl)Butan-2-Ylamino)-1-(4-Methoxyphenyl)Ethanol Hydrochloride (CHEBI:183814) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
1-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)butan-2-ylamino]ethanol;hydrochloride
Manual XrefsDatabases
48062083ChemSpider