Analyte Name

10-Oxo-nalbuphine

CAS Number

214542-41-3

Molecular Formula

C21 H25 N O5

Molecular Weight

371.427

Accurate Mass

371.173

SMILES

O[C@H]1CC[C@@]2(O)[C@@H]3N(CC4CCC4)CC[C@]25[C@H]1Oc6c(O)ccc(C3=O)c56

InChI

InChI=1S/C21H25NO5/c23-13-5-4-12-15-17(13)27-19-14(24)6-7-21(26)18(16(12)25)22(9-8-20(15,19)21)10-11-2-1-3-11/h4-5,11,14,18-19,23-24,26H,1-3,6-10H2/t14-,18+,19-,20-,21+/m0/s1

IUPAC

(4S,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7,9-trihydroxy-2,4,5,6,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-13-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat