Entacapone-3’-sulfate Sodium Salt

• CAT Number: R042610
• CAS Number: 158069-72-8
• Molecular Formula: C14H14N3NaO8S
• Molecular Weight: 407.33
• Purity: ≥95%
• Synonyms: (E)-2-Cyano-N,N-diethyl-3-[4-hydroxy-3-nitro-5-(sulfooxy)phenyl]-2-propenamide Sodium Salt
• Storage: -20°C
• IUPAC Name: sodium;[5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] sulfate
• InChI: InChI=1S/C14H15N3O8S.Na/c1-3-16(4-2)14(19)10(8-15)5-9-6-11(17(20)21)13(18)12(7-9)25-26(22,23)24;/h5-7,18H,3-4H2,1-2H3,(H,22,23,24);/q;+1/p-1/b10-5+
• InChIKey: RWNIMJWLKBFQNW-OAZHBLANSA-M
• SMILES: CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OS(=O)(=O)[O-])O)[N+](=O)[O-])/C#N.[Na+]

Entacapone-3’-sulfate sodium salt（Cat No.:R042610）is a sulfated metabolite of entacapone, a drug used in the treatment of Parkinson’s disease. This compound features a sulfate group conjugated at the 3’-position and is present as a sodium salt for enhanced solubility and stability. It is commonly studied in pharmacokinetics and drug metabolism research to understand entacapone’s biotransformation and elimination pathways. Entacapone-3’-sulfate plays a role in assessing drug efficacy, safety, and interaction profiles. Its availability as a reference standard supports analytical studies and therapeutic monitoring in neurodegenerative disease research.