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Toremifene Citrate

Toremifene Citrate

API0231825

Toremifene Citrate

Toremifene Citrate is an estrogen receptor antagonist used for breast cancer.

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  • CAS No.

    89778-27-8

  • Synonyms

    TOREMIFENE CITRATE; 89778-27-8; Acapodene

  • CHEMBL ID

    CHEMBL1200675

  • Compound CID

    3005572

  • Molecular Weight (g/mol)

    598.1

  • Molecular Formula

    C32H36ClNO8

  • 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-;

  • InChIKey

    IWEQQRMGNVVKQW-OQKDUQJOSA-N

  • 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

  • IUPAC Name

    2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid

  • Exact Mass (Da)

    597.2129448

  • Monoisotopic Mass (Da)

    597.2129448

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