Toremifene citrate | CAS No. 89778-27-8

Toremifene citrate

Basic Information

CAS Number

89778-27-8

Molecular Formula

C32H36ClNO8

Molecular Weight

598.1 g/mol

AD

Basic Physical Properties

Melting Point

158-166°C

Boiling Point

146-148C

Density

1,045g/cm

Flash Point

277.4 oC

Solubility

DMSO: >10mg/mL

Refractive Index

1,416-1,418

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

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

LogP

4.966500000000004

Topological Polar Surface Area

144.60000000000002 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

710

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H318H318
H410H410

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H318 Causes serious eye damage
Serious eye damage/eye irritation
H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • TOREMIFENE CITRATE [MI]
  • Fareston
  • CCRIS 6719
  • 2-(p-((Z)-4-chloro-1,2-diphenyl-1-butenyl)-phenoxy)-N,N-dimethylethylamine citrate (1:1)
  • NSC759190
  • Citrate, Toremifene
  • 2-(4-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine monocitrate
  • NSC 613680
  • 89778-27-8 (citrate)
  • HMS2052C03
  • TOREMIFENE CITRATE [WHO-DD]
  • NCGC00255310-01
  • 89778-27-8
  • Toremifene citrate (JAN/USAN)
  • MFCD01729016
  • (2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
  • FC 1157a
  • Pharmakon1600-01505682
  • CCG-101072
  • CS-1272
  • s1776
  • FC-1157a
  • NSC-613680
  • SMR004703372
  • KS-5242
  • AC-1985
  • (Z)-2-(4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
  • HY-B0005
  • A843307
  • HMS2230P09
  • T2832

MDL Number

MFCD01729016

Customs Code

2942000000

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