CAS No. 130929-57-6

Appearance	yellow white powder
Identification	Should comply with the IR spectrum Exhibits maximum absorption at 354nm
Clarity of solution	5.0% w/v solution in DMF is clear
Related Substances (Impurity A)	≤ 0.10%
Related Substances (Impurity B)	≤ 0.10%
Related Substances (Impurity C)	≤ 0.05%
Related Substances (Impurity D)	≤ 0.05%
Related Substances (Any other impurity)	≤ 0.10%
Related Substances (Total Impurities)	≤ 0.3%
Heavy metals	≤ 20ppm
Loss on drying	≤ 0.5%
Sulphated ash	≤ 0.1%
Assay,on anhydrous basis	99.0%~101.0%
Residual Solvents(Ethanol)	≤ 5000ppm
Residual Solvents(1,2-Xylene)	≤ 2170ppm

Molecular Formula: C14H15N3O5
Molecular Weight: 305,29


More details are to be found on supplier website

Description:
Entacapone is a selective and reversible inhibitor of the enzyme catechol-O-methyltransferase (COMT) (IC50 = 151 nM), commonly used in combination with other medications for the treatment of Parkinson's disease.

• Molecular Weight: 305.29
• Molecular Formula: C14H15N3O5

Purity: >98%

Canonical SMILES:
CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N

InChI:
InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+

InChIKey: JRURYQJSLYLRLN-BJMVGYQFSA-N

• Boiling Point: 526.6±50.0°C at 760 mmHg
• Melting Point: 162-163°C
• Solubility: Soluble in Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly)
• Appearance: Yellow Solid
• Storage: Store at -20°C

Synonyms:
2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (2E)-; Comtan; HSDB 8251; HSDB-8251; HSDB8251; OR-611; OR 611; OR611; (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide; 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (E)-; (E)-Entacapone; Comtess; Entacom; Parkicapone

More details are to be found on supplier website

Smile code:
O=C(N(CC)CC)/C(C#N)=C/C1=CC([N+]([O-])=O)=C(O)C(O)=C1
MDL Number:
MFCD00866580
Purity :
95%
Available in stock:
152.521 g