Lysine acetylsalicylateProduct ingredient for乙酰水杨酸

Show full entry for Acetylsalicylic acid
Name
Lysine acetylsalicylate
Drug Entry
乙酰水杨酸

Also known asAspirin, acetylsalicylic acid (ASA) is a commonly used drug for the treatment of pain and fever due to various causes. Acetylsalicylic acid has both anti-inflammatory and antipyretic effects. This drug also inhibits platelet aggregation and is used in the prevention of blood clots stroke, and myocardial infarction (MI)Label.

Interestingly, the results of various studies have demonstrated that long-term use of acetylsalicylic acid may decrease the risk of various cancers, including colorectal, esophageal, breast, lung, prostate, liver and skin cancer15. Aspirin is classified as anon-selective cyclooxygenase (COX) inhibitor11,14and is available in many doses and forms, including chewable tablets, suppositories, extended release formulations, and others19.

乙酰水杨酸is a very common cause of accidental poisoning in young children. It should be kept out of reach from young children, toddlers, and infantsLabel.

See full entry for Acetylsalicylic acid
Accession Number
DBSALT003034
Structure
MOL SDF PDB SMILES InChI
Similar Structures
Synonyms
Acetyl salicylate lysine/Acetylsalicylate lysine/乙酰水杨酸lysine salt/Aspirin DL-lysine/DL-Lysine acetylsalicylate/DL-Lysine acetylsalicylic acid salt
UNII
2JJ274J145
CAS Number
62952-06-1
Weight
Average: 326.349
Monoisotopic: 326.147786436
Chemical Formula
C15H22N2O6
InChI Key
JJBCTCGUOQYZHK-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)
IUPAC Name
5-amino-5-carboxypentan-1-aminium 2-(acetyloxy)benzoate
SMILES
NC(CCCC[NH3+])C(O)=O.CC(=O)OC1=CC=CC=C1C([O-])=O
ChemSpider
40238
ChEMBL
CHEMBL1697753
Predicted Properties
Property Value Source
Water Solubility 0.153 mg/mL ALOGPS
logP -0.8 ALOGPS
logP 1.24 Chemaxon
logS -3.3 ALOGPS
pKa (Strongest Acidic) 3.41 Chemaxon
pKa (Strongest Basic) -7.1 Chemaxon
Physiological Charge -1 Chemaxon
Hydrogen Acceptor Count 3 Chemaxon
Hydrogen Donor Count 0 Chemaxon
Polar Surface Area 66.43 Å2 Chemaxon
Rotatable Bond Count 8 Chemaxon
Refractivity 55.28 m3·mol-1 Chemaxon
Polarizability 16.52 Å3 Chemaxon
Number of Rings 1 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule No Chemaxon