Choline magnesium trisalicylateProduct ingredient for Salicylic acid
- Name
- Choline magnesium trisalicylate
- Drug Entry
- Salicylic acid
A compound obtained from the bark of the white willow and wintergreen leaves, and also prepared synthetically. It has bacteriostatic, fungicidal, and keratolytic actions. Its salts, the salicylates, are used as analgesics.
- Accession Number
- DBSALT001950
- Structure
- Synonyms
- Not Available
- UNII
- DJJ95FJP1H
- CAS Number
- 64425-90-7
- Weight
- Average: 539.814
Monoisotopic: 539.164188051 - Chemical Formula
- C26H29MgNO10
- InChI Key
- FQCQGOZEWWPOKI-UHFFFAOYSA-K
- InChI
- InChI=1S/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2/p-3
- IUPAC Name
- magnesium(2+) (2-hydroxyethyl)trimethylazanium tris(2-hydroxybenzoate)
- SMILES
- [Mg++].C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O
- External Links
- Human Metabolome Database
- HMDB0015473
- ChemSpider
- 10642393
- Predicted Properties
Property Value Source Water Solubility 0.0686 mg/mL ALOGPS logP 2.86 ALOGPS logP 1.98 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 2.79 Chemaxon pKa (Strongest Basic) -6.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.36 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 46.13 m3·mol-1 Chemaxon Polarizability 12.38 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon