CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | White to off-white solid |
| Melting Point | 165 °C |
| Solubility | 77 mg/mL (sulfate salt) |
| Vapor Pressure | VP: 3.1X10-13 mm Hg @ 25 °C /Estimated/ /Abacavir/ |
| LogP | 1.2 |
| Henry's Law Constant | Henry's Law constant = 1.9X10-16 atm-cu m/mol @ 25 °C /Estimated/ /Abacavir/ |
| Other Experimental Properties | UV max: 296, 255 (epsilon=14000, 10700), pH = 1; 284, 259 (epsilon=15900, 9200) pH = 7 /Abacavir/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H334:Sensitisation, respiratory H341:Germ cell mutagenicity H361:Reproductive toxicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. 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. P308+P313:IF exposed or concerned: Get medical advice/attention. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 286.33 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 286.15420922 g/mol |
| Monoisotopic Mass | 286.15420922 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 414 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
Abacavir is a 2,6-diaminopurine that is (1S)-cyclopent-2-en-1-ylmethanol in which the pro-R hydrogen at the 4-position is substituted by a 2-amino-6-(cyclopropylamino)-9H-purin-9-yl group. A nucleoside analogue reverse transcriptase inhibitor (NRTI) with antiretroviral activity against HIV, it is used (particularly as the sulfate) with other antiretrovirals in combination therapy of HIV infection. It has a role as a HIV-1 reverse transcriptase inhibitor, an antiviral drug and a drug allergen.