Dihydroheroine
[CAS# 509-71-7]

Identification

• Name: Dihydroheroine
• Synonyms: Dihydroheroin; Morphinan-3,6-Alpha-Diol, 4,5A-Epoxy-17-Methyl-, Diacetate (Ester); Morphine, Dihydro-, Diacetate
• Molecular Formula: C₂₁H₂₅NO₅
• Molecular Weight: 371.43
• CAS Registry Number: 509-71-7
• SMILES: [C@@]125C3=C4C[C@H]([C@@H]1CC[C@@H]([C@@H]2OC3=C(C=C4)OC(C)=O)OC(C)=O)N(C)CC5
• InChI: 1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1
• InChIKey: NCXVKLDKUADJPV-PVHGPHFFSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 496.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 254.3±28.7°C (Cal.)