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4'-Hydroxy Tamoxifen-[d6]

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General Information
Catalog: BLP-013844
CAS: 1346606-80-1
Molecular Formula: C26H23D6NO2
Molecular Weight: 393.55

Chemical Structure

Description	4'-Hydroxy Tamoxifen-[d6] is the labelled analogue of 4'-Hydroxy Tamoxifen, which is a metabolite of Tamoxifen.
Synonyms	4'-Hydroxy Tamoxifen-d6 (contains up to 10% E isomer); 4-[(1Z)-1-[[4-[2-(Dimethylamino-d6)ethoxy]phenyl]phenylmethylene]propyl]phenol; 4'-Hydroxytamoxifen-d6
IUPAC Name	4-[(Z)-1-[4-[2-[bis(trideuteriomethyl)amino]ethoxy]phenyl]-1-phenylbut-1-en-2-yl]phenol
Related CAS	82413-23-8 (unlabelled)
Canonical SMILES	CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=C(C=C3)O
InChI	InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-/i2D3,3D3
InChI Key	DODQJNMQWMSYGS-JIVKCLLGSA-N
Melting Point	148-152°C
Purity	≥95%; ≥98% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Sparingly)
Appearance	White to Pale Brown Solid
Storage	Store at -20°C under inert atmosphere