Nitroaspirin

Nitric Oxide-Releasing Acetylsalicylic Acid Derivative is a nitric oxide (NO) donating derivative of acetylsalicylic acid with anti-inflammatory, analgesic, antipyretic, antithrombotic, gastroprotective and potential antitumor activities

General

Type : Salicylic, Pro-Drug

Chemical_Nomenclature : [3-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate

Canonical SMILES : CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-]

InChI : InChI=1S\/C16H13NO7\/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21\/h2-9H,10H2,1H3

InChIKey : IOJUJUOXKXMJNF-UHFFFAOYSA-N

Other name(s) : Ncx-4016  ||  NO-Aspirin 1  ||  Ncx 4016  ||  SCHEMBL19524  ||  CHEMBL374385  ||  CHEBI:125482  ||  DB12445


MW : 331.28

Formula : C16H13NO7

CAS_number : 175033-36-0

PubChem : 119032

UniChem : IOJUJUOXKXMJNF-UHFFFAOYSA-N

Target

Structures : No structure

Families : BCHE

References (1)

Title : Evaluation of nitrate-substituted pseudocholine esters of aspirin as potential nitro-aspirins - Gilmer_2007_Bioorg.Med.Chem.Lett_17_3217
Author(s) : Gilmer JF , Moriarty LM , Clancy JM
Ref : Bioorganic & Medicinal Chemistry Lett , 17 :3217 , 2007
Abstract :
PubMedSearch : Gilmer_2007_Bioorg.Med.Chem.Lett_17_3217
PubMedID: 17376682