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89778-26-7

89778-26-7 structural image
Product Name: Toremifene
Formula: C26H28ClNO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 108-110 °C
Solubility 4.09e-04 g/L
LogP 6.8

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H318:Serious eye damage/eye irritation
H400:Hazardous to the aquatic environment, acute hazard
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 406.0 g/mol
XLogP3 7.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 9
Exact Mass 405.1859422 g/mol
Monoisotopic Mass 405.1859422 g/mol
Topological Polar Surface Area 12.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 483
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Toremifene is a tertiary amine, an organochlorine compound and an aromatic ether. It has a role as an antineoplastic agent, an estrogen antagonist, an estrogen receptor modulator and a bone density conservation agent. It derives from a hydride of a stilbene.