Analyte Name

Morphine Hemisulfate Pentahemihydrate

CAS Number

6211-15-0

Molecular Formula

2[C17H19NO3].H2SO4.5H2O

Molecular Weight

758.83

Accurate Mass

758.293

SMILES

O.O.O.O.O.CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.CN6CC[C@]78[C@H]9Oc%10c(O)ccc(C[C@@H]6[C@@H]7C=C[C@@H]9O)c8%10.OS(=O)(=O)O

InChI

InChI=1S/2C17H19NO3.H2O4S.5H2O/c2*1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t2*10-,11+,13-,16-,17-;;;;;;/m00....../s1

IUPAC

(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;sulfuric acid;pentahydrate

Alternate CAS Number

7083-66-1; Free salt: 57-27-2

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile