A metabolite of entacapone
Related Products
Parent Compound(s)
14153Entacapone
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cis-Entacapone

Item No. 28046

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
(2Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
CAS Number
145195-63-7
Synonyms
  • (Z)-Entacapone
Molecular Formula
C14H15N3O5
Formula Weight
305.3
Purity
≥98%
Formulation (Request formulation change)
A solid
Solubility(Learn about Variance in Solubility)
Dichloromethane: slightly solubleMethanol: slightly soluble
SMILES
OC1=C(O)C([N+]([O-])=O)=CC(/C=C(C(N(CC)CC)=O)/C#N)=C1
InChi Code
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-
InChi Key
JRURYQJSLYLRLN-YHYXMXQVSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

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    1 mg

    $134

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    5 mg

    $498

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    Product Description

    cis-Entacapone is a metabolite of the catechol-O-methyltransferase (COMT) inhibitor entacapone (Item No. 14153).1 It is also a potential impurity found in commercial preparations of entacapone and a degradant of entacapone formed by UV light exposure.2,3

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Wikberg, T., Vuorela, A., Ottoila, P., et al. Identification of major metabolites of the catechol-O-methyltransferase inhibitor entacapone in rats and humans. Drug Metab. Dispos. 21(1), 81-92 (1993).

    2. Tekale, P., Tekale, S., and Mhatre, V.S. Determination of impurities in formulated form of entacapone by RP-HPLC method. Der Pharma Chemica 3(5), 63-68 (2011).

    3. Soukhova, N.S., Kassymbek, Z., Bradby, S., et al. Development of characterization methods for entacapone in a pharmaceutical bulk. J. Pharm. Biomed. Anal. 54(4), 860-865 (2011).