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Substance Name: Tamoxifen methiodide
RN: 107256-99-5
InChIKey: PXJJOGITBQXZEQ-JTHROIFXSA-M

Molecular Formula

  • C27-H32-N-O.I

Molecular Weight

  • 513.456
 
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Names and Synonyms

Name of Substance

  • Tamoxifen methiodide

Synonyms

  • (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N,N-trimethylethanaminium iodide
  • Tamoxifen methiodide

Systematic Name

  • Ethanaminium, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N,N-trimethyl-, iodide, (Z)-

Registry Numbers

CAS Registry Number

  • 107256-99-5

System Generated Number

  • 0107256995

Molecular Formulas

Molecular Formula

  • C27-H32-N-O.I

Molecular Formula Fragments

  • C27-H32-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C27H32NO.HI/c1-5-26(22-12-8-6-9-13-22)27(23-14-10-7-11-15-23)24-16-18-25(19-17-24)29-21-20-28(2,3)4;/h6-19H,5,20-21H2,1-4H3;1H/q+1;/p-1/b27-26-;

InChIKey

PXJJOGITBQXZEQ-JTHROIFXSA-M

Smiles

c1cc(\C(CC)=C(\c2ccccc2)c2ccc(OCC[N+](C)(C)C)cc2)ccc1.[IH-]