3,6-Dibutanoylmorphine
[CAS# 66641-03-0]

Identification

• Name: 3,6-Dibutanoylmorphine
• Synonyms: Morphinan-3,6-Diol, 7,8-Didehydro-4,5-Epoxy-17-Methyl-, (5Alpha,6Alpha)-, Dibutanoate (Ester)
• Molecular Formula: C₂₅H₃₁NO₅
• Molecular Weight: 425.52
• CAS Registry Number: 66641-03-0
• SMILES: [C@]124[C@@H]5[C@H](N(CC1)C)CC3=C2C(=C(OC(=O)CCC)C=C3)O[C@H]4[C@@H](OC(=O)CCC)C=C5
• InChI: 1S/C25H31NO5/c1-4-6-20(27)29-18-10-8-15-14-17-16-9-11-19(30-21(28)7-5-2)24-25(16,12-13-26(17)3)22(15)23(18)31-24/h8-11,16-17,19,24H,4-7,12-14H2,1-3H3/t16-,17+,19-,24-,25-/m0/s1
• InChIKey: DOTAVBXFXPVSAS-OAQLGNTPSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 536.161°C at 760 mmHg (Cal.)
• Flash point: 278.061°C (Cal.)