(Glutathion-S-Yl)Dihydromorphinone
[CAS# 119995-15-2]

Identification

• Name: (Glutathion-S-Yl)Dihydromorphinone
• Synonyms: Dihydromorphinone-Glutathione Adduct; Glycine, N-(S-((5Alpha,8Beta)-4,5-Epoxy-3-Hydroxy-17-Methyl-6-Oxomorphinan-8-Yl)-N-L-Gamma-Glutamyl-L-Cysteinyl)-; Sg-Dhmo
• Molecular Formula: C₂₇H₃₄N₄O₉S
• Molecular Weight: 590.65
• CAS Registry Number: 119995-15-2
• SMILES: [C@@]125C3=C4C[C@H]([C@@H]1[C@@H](CC([C@@H]2OC3=C(C=C4)O)=O)SC[C@H](NC(CC[C@@H](C(=O)O)N)=O)C(NCC(=O)O)=O)N(CC5)C
• InChI: 1S/C27H34N4O9S/c1-31-7-6-27-21-12-2-4-16(32)23(21)40-24(27)17(33)9-18(22(27)15(31)8-12)41-11-14(25(37)29-10-20(35)36)30-19(34)5-3-13(28)26(38)39/h2,4,13-15,18,22,24,32H,3,5-11,28H2,1H3,(H,29,37)(H,30,34)(H,35,36)(H,38,39)/t13-,14-,15+,18+,22+,24-,27+/m0/s1
• InChIKey: VVZYRFDANRQOGU-WGVGMDPXSA-N

Properties

• Density: 1.553g/cm³ (Cal.)
• Boiling point: 994.455°C at 760 mmHg (Cal.)
• Flash point: 555.226°C (Cal.)