Analyte Name

Hydromorphone Aldol Dimer

CAS Number

1261084-08-5

Molecular Formula

C34H38N2O6

Molecular Weight

570.68

Accurate Mass

570.27

SMILES

O[C@@]1([C@@]2([H])C[C@@]3([H])[C@@]45[C@@](OC6=C(O)C=CC(C[C@]3([H])N(CC5)C)=C64)([H])C2=O)[C@@]7([H])[C@]89C%10=C(C[C@](N(CC9)C)([H])[C@]8([H])CC1)C=CC(O)=C%10O7

InChI

InChI=1S/C34H38N2O6/c1-35-12-10-33-18-7-8-34(40,31(33)42-29-24(38)6-4-17(26(29)33)13-21(18)35)20-15-19-22-14-16-3-5-23(37)28-25(16)32(19,9-11-36(22)2)30(41-28)27(20)39/h3-6,18-22,30-31,37-38,40H,7-15H2,1-2H3/t18-,19+,20-,21+,22-,30+,31+,32+,33-,34-/m0/s1

IUPAC

(4S,4aS,6R,7aS,12bR)-6-[(4R,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat