Entacapone 3-b-D-Glucuronide Disodium Salt
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- structure.search.product.name Entacapone 3-b-D-Glucuronide Disodium Salt
- Product Code: TRC-E558510
- Brand: TRC
Product Overview
Product Code
TRC-E558510
Product Format
Neat
Molecular Formula
C20H21N3Na2O11
Molecular Weight
525.37
API Family
EntacaponeProduct Categories
Product Type
MetaboliteAlternate CAS Number
Documentation
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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 Type
Metabolite
Product Format
Neat
API Family
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