188062-50-2
Product Name:
Abacavir sulfate
Formula:
C14H20N6O5S
Synonyms:
(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol sulfate;{(1S, 4R)-4-[2-Amino-6- (cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol};Abacavir Hemisulfate;Abacavir sulfate;ABC
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White to off-white solid |
|---|---|
| Solubility | In water, 77,000 mg/l @ 25 °C |
| Vapor Pressure | VP: 3.1X10-13 mm Hg @ 25 °C /Estimated/ /Abacavir/ |
| LogP | log Kow = 1.2 @ 25 °C |
| 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 | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H341:Germ cell mutagenicity H351:Carcinogenicity 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 670.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 8 |
| Exact Mass | 670.27579815 g/mol |
| Monoisotopic Mass | 670.27579815 g/mol |
| Topological Polar Surface Area | 287 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 496 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Abacavir sulfate is an azaheterocycle sulfate salt that is the sulfate salt of the HIV-1 reverse transcriptase inhibitor abacavir. It is functionally related to an abacavir.