CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Anthracycline antibiotic. An anticancer agent. |
|---|---|
| Color/Form | Reddish needles |
| Boiling Point | 190 °C |
| Melting Point | 208-209 °C |
| Solubility | 30000 mg/L at 25 °C |
| Vapor Pressure | 9.4X10-15 mm Hg at 25 °C |
| LogP | 1.83 |
| Henry's Law Constant | Henry's Law constant = 2.18X10-13 atm-cu m/mol at 26 °C |
| Stability/Shelf Life | Aseptic technique must be strictly observed in all handling, since no preservative or bacteriostatic agent is present in DaunoXome or in the materials recommended for dilution. |
| Optical Rotation | Thin red needles; decomposes 188-190 °C. Specific optical rotation: +248 deg (c = 0.05-1.0 in methanol); soluble in water, methanol, aqueous alcohols; practically insoluble in chloroform, ether, benzene. Color of aqueous solution changes from pink at acid pH to blue at alkaline pH. Adsorption max (methanol): 234, 252, 290, 480, 495, and 532 nm (epsilon 1%, 1cm: 665, 462, 153, 214, 218 and 112) /Daunorubicin hydrochloride/ |
| Dissociation Constants | 7.85 |
| Collision Cross Section | 222.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | The aglycone can be reduced by sodium borohydride; subsequent periodate oxidation yields benzaldehyde. |
| Chemical Classes | Other Uses -> Pharmaceuticals |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P330:Rinse mouth. P362:Take off contaminated clothing and wash before reuse. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 527.5 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 4 |
| Exact Mass | 527.17914612 g/mol |
| Monoisotopic Mass | 527.17914612 g/mol |
| Topological Polar Surface Area | 186 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 960 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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
Anthracycline antibiotic. An anticancer agent.