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N-Desmethyltamoxifen

Properties

Image

Occurences in reactions

MNX_ID

MNXM4727

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₅H₂₇NO

charge

mass

357.20926

reference

InChIKey

NYDCDZSEEAUOHN-IZHYLOQSSA-N

InChI

InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-

SMILES

CC/C(=C(\c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd16360 seedM:cpd16360 CHEBI:80554 chebi:80554 kegg.compound:C16546 keggC:C16546	N-Desmethyltamoxifen
hmdb:HMDB0013866	N-Desmethyltamoxifen (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)amine Demethyltamoxifen N-Demethyltamoxifen N-Desmethyltamoxifen citrate (1:1), (Z)-isomer alpha-Acetoxy-N-desmethyl tamoxifen desmethyltamoxifen
hmdb:HMDB13866 keggC:M_C16546 seedM:M_cpd16360	secondary/obsolete/fantasy identifier