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tamoxifen N-oxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM3099

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₆H₂₉NO₂

charge

mass

387.21983

reference

InChIKey

YAASNACECBQAFW-QPLCGJKRSA-N

InChI

InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-

SMILES

CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)[O-])cc1)c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-217269 reactomeM:R-ALL-217269 CHEBI:63825 chebi:63825	tamoxifen N-oxide (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine oxide
seed.compound:cpd16359 seedM:cpd16359 kegg.compound:C16545 keggC:C16545	Tamoxifen N-oxide
hmdb:HMDB0060513	Tamoxifen N-oxide 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine oxide
hmdb:HMDB60513 keggC:M_C16545 seedM:M_cpd16359	secondary/obsolete/fantasy identifier