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Lithium acetylsalicylate

CAT: 0013-GTR19223366-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223366-01Size:100 mg
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Description
Lithium acetylsalicylate is an irreversible, orally active COX-1/COX-2 inhibitor, used to establish gastric ulcer models in vivo. It also demonstrates pro-apoptotic and NF-κB inhibitory activities in cellular research, making it applicable for studying inflammation and related pathways.
CAS Number
552-98-7
Smiles
[Li].CC (=O) Oc1ccccc1C (O) =O
Molecular Formula
C9H7LiO4
Molecular Weight
186.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lithium acetylsalicylate
CAS Number552-98-7
PubChem CID23680279
IUPAC Namelithium 2-acetyloxybenzoate
Molecular FormulaC9H7LiO4
Molecular Weight186.1
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity217
SMILES
[Li+].CC(=O)OC1=CC=CC=C1C(=O)[O-]
InChI
InChI=1S/C9H8O4.Li/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2-5H,1H3,(H,11,12);/q;+1/p-1
InChIKey
FGLLQDSAOUJRST-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Lithium acetylsalicylate
CAS: 552-98-7
CID: 23680279
Formula: C9H7LiO4
MW: 186.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass186.05043713
Monoisotopic Mass186.05043713
Topological Polar Surface Area66.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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