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Substance Name: Trioxifene mesylate [USAN]
RN: 68307-81-3
UNII: 63ZD22G88L
InChIKey: RAHJASYQAFJPFD-UHFFFAOYSA-N

Classification Codes

  • Anti-Estrogen
  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C30-H31-N-O3.C-H4-O3-S

Molecular Weight

  • 549.685
 
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Names and Synonyms

Name of Substance

  • Trioxifene mesylate [USAN]

Synonyms

  • 3,4-Dihydro-2-(p-methoxyphenyl)-1-naphthyl p-(2-(1-pyrrolidinyl)ethoxy)phenyl ketone methanesulfonate
  • Compound 133314
  • Lilly compound LY133314
  • LY 133314
  • LY133314
  • Methanone, (3,4-dihydro-2-(4-methoxyphenyl)-1-naphthalenyl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, methanesulfonate
  • Trioxifene mesylate
  • UNII-63ZD22G88L

Systematic Names

  • Ketone, 3,4-dihydro-2-(p-methoxyphenyl)-1-naphthyl-p-(2-(1-pyrrolidinyl)ethoxy)phenyl, methanesulfonate
  • Methanone, (3,4-dihydro-2-(4-methoxyphenyl)-1-naphthalenyl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, methanesulfonate

Registry Numbers

CAS Registry Number

  • 68307-81-3

FDA UNII

  • 63ZD22G88L

Related Registry Number

  • 63619-84-1 (Parent)

System Generated Number

  • 0068307813

Molecular Formulas

Molecular Formula

  • C30-H31-N-O3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C30-H31-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C30H31NO3.CH4O3S/c1-33-25-13-8-23(9-14-25)28-17-12-22-6-2-3-7-27(22)29(28)30(32)24-10-15-26(16-11-24)34-21-20-31-18-4-5-19-31;1-5(2,3)4/h2-3,6-11,13-16H,4-5,12,17-21H2,1H3;1H3,(H,2,3,4)

InChIKey

RAHJASYQAFJPFD-UHFFFAOYSA-N

Smiles

C1(=C(c2ccc(OC)cc2)CCc2ccccc12)C(c1ccc(OCCN2CCCC2)cc1)=O.CS(=O)(O)=O