Nalmefene-3-O-Glucuronide

Product Specifications

Synonyms

(2S,3S,4S,5R,6S)-6-(((4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-methylene-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

C=C1[C@@]2([H])[C@]34C5=C(C=CC(O[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)=C5O2)C[C@@H](N(CC7CC7)CC4)[C@]3(O)C=C1

Molecular Formula

C27H31NO9

Molecular Weight

513.54

InChI

InChI=1S/C27H31NO9/c1-12-6-7-27(34)16-10-14-4-5-15(35-25-20(31)18(29)19(30)22(37-25)24(32)33)21-17(14)26(27,23(12)36-21)8-9-28(16)11-13-2-3-13/h4-7,13,16,18-20,22-23,25,29-31,34H,1-3,8-11H2,(H,32,33)/t16-,18+,19+,20-,22+,23+,25-,26+,27-/m1/s1

Additionnal Information

IUPAC name: (2S,3S,4S,5R,6S)-6-(((4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-methylene-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid