Analyte Name

2-Hydroxy-3-O-methylnaltrexone

CAS Number

67829-18-9

Molecular Formula

C21 H25 N O5

Molecular Weight

371.427

Accurate Mass

371.173

SMILES

COc1c(O)cc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O

InChI

InChI=1S/C21H25NO5/c1-26-17-14(24)8-12-9-15-21(25)5-4-13(23)19-20(21,16(12)18(17)27-19)6-7-22(15)10-11-2-3-11/h8,11,15,19,24-25H,2-7,9-10H2,1H3/t15-,19+,20+,21-/m1/s1

IUPAC

(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,10-dihydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat