6-Beta-Naloxol Hydrochloride (1.0mg/ml in Acetonitrile)

Analyte Name

6beta-Naloxol hydrochloride

CAS Number

55488-85-2

Molecular Formula

C19 H23 N O4 . Cl H

Molecular Weight

365.85

Accurate Mass

365.1394

SMILES

Cl.O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45

InChI

InChI=1S/C19H23NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,13-14,17,21-23H,1,5-10H2;1H/t13-,14-,17+,18+,19-;/m1./s1

IUPAC

(4R,4aS,7R,7aR,12bS)-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol;hydrochloride

Alternate CAS Number

Free base: 53154-12-4

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile