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Toremifene-[d6] citrate

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General Information
Catalog: BLP-013700
CAS: 1246833-71-5
Molecular Formula: C32H30ClD6NO8
Molecular Weight: 604.12

Chemical Structure

Description	Toremifene-[d6] citrate is the labelled analogue of Toremifene citrate, which is an antiestrogen and antineoplastic.
Synonyms	Toremifene-d6 citrate; 2-[4-[(1Z)-4-Chloro-1,2-diphenyl-1-butenyl]phenoxy]-N,N-(dimethyl-d6)ethanamine 2-Hydroxy-1,2,3-propanetricarboxylate; FC 1157a-d6; Fareston-d6; NK 622-d6; NSC 613680-d6
IUPAC Name	2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-bis(trideuteriomethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Related CAS	89778-27-8 (unlabelled) 89778-26-7 (unlabelled free base)
Canonical SMILES	CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI	InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;/i1D3,2D3;
InChI Key	IWEQQRMGNVVKQW-JUFCHOJXSA-N
Solubility	Soluble in DMSO (Slightly), Ethanol (Slightly, Heated, Sonicated)
Appearance	Off-white Solid
Storage	Store at -20°C under inert atmosphere