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Substance Name: Nitromifene citrate [USAN]
RN: 5863-35-4
UNII: TN5UQ266RA
InChIKey: LHAPNDAERSFWSC-JGUILPGDSA-N

Note

  • A non-steroidal estrogen antagonist (as the 1:1 citrate) most commonly used as a research tool in animal studies.

Molecular Formula

  • C27-H28-N2-O4.C6-H8-O7

Molecular Weight

  • 636.65
 

Classification Codes

  • Anti-Estrogen
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Nitromifene citrate [USAN]

Synonyms

  • 1-(2-(p-(alpha-(p-Methoxyphenyl)-beta-nitrostyryl)phenoxy)ethyl) pyrrolidine monocitrate
  • 1-(2-(p-(alpha-(p-Methoxyphenyl)-beta-nitrostyryl)phenoxy)ethyl)pyrrolidine citrate (1:1)
  • 1-(2-(p-(alpha-(p-Methoxyphenyl)-beta-nitrostyryl)phenoxy)ethyl)pyrrolidine, monocitrate
  • AI3-52826
  • CI-628
  • CI-628 citrate
  • CN-55945-27
  • Nitromifene citrate
  • NSC 110407
  • Parke davis CI-628
  • Pyrrolidine, 1-(2-(4-(1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl)phenoxy)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • UNII-TN5UQ266RA

Systematic Names

  • Pyrrolidine, 1-(2-(4-(1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl)phenoxy)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Pyrrolidine, 1-(2-(p-(alpha-(p-methoxyphenyl)-beta-nitrostyryl)phenoxy)ethyl)-, citrate (1:1) (8CI)

Registry Numbers

CAS Registry Number

  • 5863-35-4

FDA UNII

  • TN5UQ266RA

Related Registry Number

  • 10448-84-7 (Parent)

System Generated Number

  • 0005863354

Molecular Formulas

Molecular Formula

  • C27-H28-N2-O4.C6-H8-O7

Molecular Formula Fragments

  • C27-H28-N2-O4
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C27H28N2O4.C6H8O7/c1-32-24-13-9-21(10-14-24)26(27(29(30)31)23-7-3-2-4-8-23)22-11-15-25(16-12-22)33-20-19-28-17-5-6-18-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-4,7-16H,5-6,17-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b27-26+;

InChIKey

LHAPNDAERSFWSC-JGUILPGDSA-N

Smiles

C(=C(/c1ccccc1)[N+](=O)[O-])(\c1ccc(OCCN2CCCC2)cc1)c1ccc(cc1)OC.C(CC(CC(O)=O)(O)C(O)=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 832mg/kg (832mg/kg)   Nature. Vol. 211, Pg. 538, 1966.
rat LD50 oral 1778mg/kg (1778mg/kg)   Nature. Vol. 211, Pg. 538, 1966.