Products 287118-97-2

CAS 287118-97-2 appears in our catalog under these names: NO-Aspirin, NCX 4040, NCX 4040, NCX4040, 99.82%, NCX4040 (Standard). Offered by: TRC, TargetMol, GLPBio, MedChemExpress. Available pack sizes: 50mg, 2mg, 10mg, 100 mg, 25 mg, 10mM/1mL, 10 mg, 5 mg.

Structural formula: {0} (CAS {1})

NCX-4040 is a benzoate ester resulting from the formal condensation of the carboxy group of acetylsalicylic acid with the hydroxy group of (4-hydroxyphenyl)methyl nitrate. It is a nitric oxide donor. It has a role as a chemosensitiser, an analgesic, an antineoplastic agent, an antifungal agent, a nitric oxide donor, an anti-inflammatory agent and an apoptosis inducer. It is a member of phenyl acetates, a nitro compound and a benzoate ester. It is functionally related to an acetylsalicylic acid.

Source: ChEBI

Identity
Molecular formulaC16H13NO7
Molecular weight331.28 g/mol
IUPAC name[4-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate
InChIKeyCTHNKWFUDCMLIQ-UHFFFAOYSA-N
SMILESCC(=O)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-]

Computed by PubChem (NCBI)