10540-29-1
Product Name:
Tamoxifen
Formula:
C26H29NO
Synonyms:
(Z)-1-(p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene;trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine;Tamoxifen
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from petroleum ether. |
| Melting Point | 97 °C |
| Solubility | 2.6 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 7.1 |
| Dissociation Constants | 8.48 |
| Collision Cross Section | 197.1 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Other Experimental Properties | C32-H37-N-O8; ICI-46474, ... Fine, white, odorless crystalline powder; MP: 140-142 °C; slightly sol in water, sol in ethanol, methanol, acetone; hygroscopic at high relative humidities. Sensitive to UV light. /Tamoxifen citrate/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H350:Carcinogenicity H360:Reproductive toxicity H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P273:Avoid release to the environment. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 371.5 g/mol |
|---|---|
| XLogP3 | 7.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 371.224914549 g/mol |
| Monoisotopic Mass | 371.224914549 g/mol |
| Topological Polar Surface Area | 12.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 463 |
| 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
Tamoxifen is a tertiary amino compound and a stilbenoid. It has a role as an estrogen receptor antagonist, a bone density conservation agent, an estrogen receptor modulator, an estrogen antagonist, an angiogenesis inhibitor, an EC 2.7.11.13 (protein kinase C) inhibitor, an EC 1.2.3.1 (aldehyde oxidase) inhibitor and an antineoplastic agent. It derives from a hydride of a stilbene.