2,2'-Bisnaltrexone (Naltrexone Impurity)

Analyte Name

2,2'-Bisnaltrexone

CAS Number

607732-61-6

Molecular Formula

C40 H44 N2 O8

Molecular Weight

680.79

Accurate Mass

680.3098

SMILES

Oc1c2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5Cc(cc1c6cc7C[C@H]8N(CC9CC9)CC[C@@]%10%11[C@@H](Oc(c6O)c7%10)C(=O)CC[C@@]8%11O)c2[C@@]34CCN5CC%12CC%12

InChI

InChI=1S/C40H44N2O8/c43-25-5-7-39(47)27-15-21-13-23(31(45)33-29(21)37(39,35(25)49-33)9-11-41(27)17-19-1-2-19)24-14-22-16-28-40(48)8-6-26(44)36-38(40,30(22)34(50-36)32(24)46)10-12-42(28)18-20-3-4-20/h13-14,19-20,27-28,35-36,45-48H,1-12,15-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1

IUPAC

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Naltrexone

Purity

>95% (HPLC)