ENTACAPONE 3-BETA-D-GLUCURONIDE_Chemical Cloud Database

ENTACAPONE 3-BETA-D-GLUCURONIDE

Basic Information
Product Name：	ENTACAPONE 3-BETA-D-GLUCURONIDE
English Synonyms：	5-[(1E)-2-CYANO-3-(DIETHYLAMINO)-3-OXO-1-PROPENYL]-2-HYDROXY-3-NITROPHENYL BETA-D-GLUCOPYRANOSIDURONIC ACID ; ENTACAPONE 3-BETA-D-GLUCURONIDE
MDL Number.：	MFCD09952201
H bond acceptor：	14
H bond donor：	5
Smile：	CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)[N+](=O)[O-])/C#N
InChi：	InChI=1S/C20H23N3O11/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)/b10-5+/t14-,15-,16+,17-,20+/m0/s1
InChiKey：	InChIKey=QFIJKZUWSRMQEH-IJKJBMBDSA-N

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