Analyte Name

Naloxegol-13C6

Molecular Formula

13C6 C28 H53 N O11

Molecular Weight

657.741

Accurate Mass

657.382

SMILES

COCCOCCOCCOCCO[13CH2][13CH2]O[13CH2][13CH2]O[13CH2][13CH2]O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45

InChI

InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1/i19+1,20+1,21+1,22+1,23+1,24+1

IUPAC

(4R,4aS,7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy](1,2-13C2)ethoxy](1,2-13C2)ethoxy](1,2-13C2)ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

Unlabelled CAS Number

854601-70-0

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat