Analyte Name

2,2'-Bisnalbuphine

CAS Number

214542-42-4

Molecular Formula

C42 H52 N2 O8

Molecular Weight

712.871

Accurate Mass

712.372

SMILES

O[C@]12[C@@]34C=5C(O[C@]3([C@@H](O)CC1)[H])=C(O)C(=CC5C[C@]2(N(CC6CCC6)CC4)[H])C=7C(O)=C8C9=C(C7)C[C@@]%10([C@@]%11(O)[C@@]9([C@@](O8)([C@@H](O)CC%11)[H])CCN%10CC%12CCC%12)[H]

InChI

InChI=1S/C42H52N2O8/c45-27-7-9-41(49)29-17-23-15-25(33(47)35-31(23)39(41,37(27)51-35)11-13-43(29)19-21-3-1-4-21)26-16-24-18-30-42(50)10-8-28(46)38-40(42,32(24)36(52-38)34(26)48)12-14-44(30)20-22-5-2-6-22/h15-16,21-22,27-30,37-38,45-50H,1-14,17-20H2/t27-,28-,29+,30+,37-,38-,39-,40-,41+,42+/m0/s1

IUPAC

(4R,4aS,7S,7aR,12bS)-10-[(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7,9-trihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-10-yl]-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Nalbuphine Hydrochloride