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Entacapone 3-b-D-Glucuronide Disodium Salt

Product Code

TRC-E558510

Product Format

Neat

Molecular Formula

C20H21N3Na2O11

Molecular Weight

525.37

Product Categories

TRC, Additional endogenous metabolites

Alternate CAS Number

158069-75-1 free acid

Purity

>95% (HPLC)

Price and availability

48-hour USA dispatch time
If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.

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Product Information

Chemical Data

Analyte Name

Entacapone 3-b-D-Glucuronide Disodium Salt

Molecular Formula

C20H21N3Na2O11

Molecular Weight

525.37

Accurate Mass

525.1

SMILES

O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=C(O[Na])C([N+]([O-])=O)=CC(/C=C(C#N)/C(N(CC)CC)=O)=C2)O[C@@H]1C(O[Na])=O

InChI

InChI=1S/C20H23N3O11.2Na/c1-3-22(4-2)18(28)10(8-21)5-9-6-11(23(31)32)13(24)12(7-9)33-20-16(27)14(25)15(26)17(34-20)19(29)30;;/h5-7,14-17,20,24-27H,3-4H2,1-2H3,(H,29,30);;/q;2*+1/p-2/b10-5+;;/t14-,15-,16+,17?,20+;;/m0../s1

IUPAC

sodium (2S,3S,4S,5R,6S)-6-(5-((E)-2-cyano-3-(diethylamino)-3-oxoprop-1-en-1-yl)-3-nitro-2-oxidophenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

Alternate CAS Number

158069-75-1 free acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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