Idoxifene

CAS Registry Number®

116057-75-1
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CAS Name

Idoxifene

Molecular Formula

C28H30INO

Molecular Mass

523.45

Cite this Page

Idoxifene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=116057-75-1 (retrieved 2024-04-19) (CAS RN: 116057-75-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    106-109 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27-

InChIKey

InChIKey=JJKOTMDDZAJTGQ-DQSJHHFOSA-N

SMILES

C(=C(/CC)\C1=CC=CC=C1)(\C2=CC=C(OCCN3CCCC3)C=C2)/C4=CC=C(I)C=C4

Canonical SMILES

IC1=CC=C(C=C1)C(C2=CC=C(OCCN3CCCC3)C=C2)=C(C=4C=CC=CC4)CC

Other Names for this Substance

  • Pyrrolidine, 1-[2-[4-[(1E)-1-(4-iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]ethyl]-
  • Pyrrolidine, 1-[2-[4-[1-(4-iodophenyl)-2-phenyl-1-butenyl]phenoxy]ethyl]-, (E)-
  • Pyrrolidine, 1-[2-[4-[(1E)-1-(4-iodophenyl)-2-phenyl-1-butenyl]phenoxy]ethyl]-
  • 1-[2-[4-[(1E)-1-(4-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy]ethyl]pyrrolidine
  • CB 7432

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Deleted or Replaced CAS Registry Numbers

531553-45-4

CAS INSIGHTSTM
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