89778-27-8
Product Name:
Toremifene citrate
Formula:
C26H28ClNO.C6H8O7
Synonyms:
(Z)-2-(4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine;Acapodene;Fareston;GTx 006;Z-Toremifene
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CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 4.4 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 203 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H318:Serious eye damage/eye irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 598.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Exact Mass | 597.2129448 g/mol |
| Monoisotopic Mass | 597.2129448 g/mol |
| Topological Polar Surface Area | 145 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 710 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Toremifene citrate is a stilbenoid. It has a role as an anticoronaviral agent.
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