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114828-90-9

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114828-90-9 Structure

114828-90-9 Structure
IdentificationBack Directory
[Name]

(E)-4-Hydroxy-N-desmethyl Tamoxifen
[CAS]

114828-90-9
[Synonyms]

Tamoxifen Citrate Impurity 25
(E)-4-Hydroxy-N-desmethyl Tamoxifen
Tamoxifen 4-Hydroxy N-Desmethyl trans-Isomer
Phenol, 4-[(1E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-
[Molecular Formula]

C25H27NO2
[MDL Number]

MFCD18379457
[MOL File]

114828-90-9.mol
[Molecular Weight]

373.49
Chemical PropertiesBack Directory
[Melting point ]

154-156°C
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White
[InChI]

InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24+
[InChIKey]

MHJBZVSGOZTKRH-OCOZRVBESA-N
[SMILES]

C1(O)=CC=C(/C(/C2=CC=C(OCCNC)C=C2)=C(\C2=CC=CC=C2)/CC)C=C1
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

A novel active metabolite of the anti-cancer drug Tamoxifen (T006000). It showed potent ER binding property, blocked estrogen stimulated growth of breast cancer cell and half maximal inhibition of estrogen responsive gene expression in ER pos. human breast cancer cell line.
Spectrum DetailBack Directory
[Spectrum Detail]

(E)-4-Hydroxy-N-desmethyl Tamoxifen(114828-90-9)1HNMR
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