Isosorbide-2-aspirinate-5-salicylate
true aspirin prodrug
General
Type : Isosorbide, Salicylic, Acetate, Benzoate, Pro-Drug
Chemical_Nomenclature : [(3S,3aR,6R,6aR)-6-(2-acetyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-hydroxybenzoate
Canonical SMILES : CC(=O)OC1=CC=CC=C1C(=O)OC2COC3C2OCC3OC(=O)C4=CC=CC=C4O
InChI : InChI=1S\/C22H20O9\/c1-12(23)29-16-9-5-3-7-14(16)22(26)31-18-11-28-19-17(10-27-20(18)19)30-21(25)13-6-2-4-8-15(13)24\/h2-9,17-20,24H,10-11H2,1H3\/t17-,18+,19+,20+\/m0\/s1
InChIKey : HBQHNSGCOIFBPN-MTQWCTHYSA-N
Other name(s) : CHEMBL456555 || SCHEMBL12860910 || CHEMBL457443 || SCHEMBL12860943 || Compound-12
MW : 428.39
Formula : C22H20O9
CAS_number :
PubChem : 25179313
UniChem : HBQHNSGCOIFBPN-MTQWCTHYSA-N
Target
Structures : No structure
Families : BCHE, Carb_B_Chordata
References (1)
| Title : Discovery of a true aspirin prodrug - Moriarty_2008_J.Med.Chem_51_7991 |
| Author(s) : Moriarty LM , Lally MN , Carolan CG , Jones M , Clancy JM , Gilmer JF |
| Ref : Journal of Medicinal Chemistry , 51 :7991 , 2008 |
| Abstract : |
| PubMedSearch : Moriarty_2008_J.Med.Chem_51_7991 |
| PubMedID: 19049433 |