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

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ChEBI Name	2-(4-(4-Nitrophenyl)Butan-2-Ylamino)-1-(4-Methoxyphenyl)Ethanol Hydrochloride

ChEBI ID	CHEBI:183814

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H24N2O4.ClH

Net Charge

Average Mass

380.870

Monoisotopic Mass

380.15028

InChI

InChI=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

InChIKey

WJDPXYJBBJAWFE-UHFFFAOYSA-N

SMILES

Cl.OC(CNC(CCC1=CC=C([N+]([O-])=O)C=C1)C)C2=CC=C(OC)C=C2

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in serum (BTO:0001239). of strain C57BL [EFO:0005181] See: MetaboLights Study

ChEBI Ontology
Outgoing	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