(5R,5aR,8aS,9S)-9-(2-Dimethylaminoethylamino)-5-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-f][1,3]Benzodioxol-6-One
[CAS 152833-15-3]

Identification

• Name: (5R,5aR,8aS,9S)-9-(2-Dimethylaminoethylamino)-5-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-f][1,3]Benzodioxol-6-One
• Synonyms: (5R,5Ar,8As,9S)-9-(2-Dimethylaminoethylamino)-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[6,5-F][1,3]Benzodioxol-6-One; 9-((2-(Dimethylamino)Ethyl)Amino)-5,8,8A,9-Tetrahydro-5-(4-Hydroxy-3,5-Dimethoxyphenyl)Furo(3',4':6,7)Naphtho(2,3-D)-1,3-Dioxol-6(5Ah)-One (5R-(5Alpha,5Abeta,8Aalpha,9Beta))-; Ddadptx
• Molecular Formula: C₂₅H₃₀N₂O₇
• Molecular Weight: 470.52
• CAS Registry Number: 152833-15-3
• SMILES: [C@@H]1([C@@H]4[C@@H]([C@H](NCCN(C)C)C3=C1C=C2OCOC2=C3)COC4=O)C5=CC(=C(O)C(=C5)OC)OC
• InChI: 1S/C25H30N2O7/c1-27(2)6-5-26-23-15-10-18-17(33-12-34-18)9-14(15)21(22-16(23)11-32-25(22)29)13-7-19(30-3)24(28)20(8-13)31-4/h7-10,16,21-23,26,28H,5-6,11-12H2,1-4H3/t16-,21+,22-,23+/m0/s1
• InChIKey: PGHGGOHEWBODPG-AZIXLERZSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 642.916°C at 760 mmHg (Cal.)
• Flash point: 342.624°C (Cal.)