Analyte Name

3-O-Benzylnaltrexone

CAS Number

153567-11-4

Molecular Formula

C27H29NO4

Molecular Weight

431.52

Accurate Mass

431.2097

SMILES

O[C@]12CCC(=O)[C@@H]3Oc4c(OCc5ccccc5)ccc6C[C@H]1N(CC7CC7)CC[C@@]23c46

InChI

InChI=1S/C27H29NO4/c29-20-10-11-27(30)22-14-19-8-9-21(31-16-18-4-2-1-3-5-18)24-23(19)26(27,25(20)32-24)12-13-28(22)15-17-6-7-17/h1-5,8-9,17,22,25,30H,6-7,10-16H2/t22-,25+,26+,27-/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat