303-45-7
Product Name:
GOSSYPOL
Formula:
C30H30O8
Synonyms:
(±)-2,2′-bis(8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalene)
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Yellow, crystalline pigment |
| Melting Point | 184 °C (from ether); 199 °C (from chloroform); 214 °C (from ligroin) |
| Solubility | Very soluble in methanol, ethanol, cold dioxane, diethylene glucol, ether, ethyl acetate, acetone, carbon tetrachloride, pyridine, chloroform, DMF, lipds. Freely soluble (with slow desomposition) in dilute aqueous solutions of ammonia and sodium carbonate. Slightly soluble in glycerol, cyclohexane. Insoluble in water. |
| Optical Rotation | Bright yellow crystals from acetone, mp 181-184 °C (decomposes). Specific optical rotation: -386 deg to -390 deg at 29 °C/D (concentration = 0.5 g/100g solution in CHCL3) /Gossyol R-Form/ |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Collision Cross Section | 228.1 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | When heated to decomposition it emits acrid smoke and irritating fumes |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 518.6 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 518.19406791 g/mol |
| Monoisotopic Mass | 518.19406791 g/mol |
| Topological Polar Surface Area | 156 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 780 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Gossypol has been used in trials studying the treatment of Non-small Cell Lung Cancer.