Analyte Name

O-Isobutyryl 6-Bromo Naltrexone

Molecular Formula

C24 H28 Br N O5

Molecular Weight

490.387

Accurate Mass

489.115

SMILES

CC(C)C(=O)Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)C(Br)C[C@@]36O

InChI

InChI=1S/C24H28BrNO5/c1-12(2)22(28)30-16-6-5-14-9-17-24(29)10-15(25)19(27)21-23(24,18(14)20(16)31-21)7-8-26(17)11-13-3-4-13/h5-6,12-13,15,17,21,29H,3-4,7-11H2,1-2H3/t15?,17-,21+,23+,24-/m1/s1

IUPAC

[(4R,4aS,7aR,12bS)-6-bromo-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2-methylpropanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat