(5R,5Ar,8Ar,9S)-9-(2-{[2-(Dimethylamino)Ethyl](Methyl)Amino}Ethyl)-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5,8,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(5Ah)-One

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Properties Simple | Detailed

Formula C28H36N2O7
IUPAC Name (5r,5ar,8ar,9s)-9-[2-[2-(dimethylamino)ethyl-methyl-amino]ethyl]-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofuro[6,5-f][1,3]benzodioxol-6-one
Molecular Mass 512.595 g·mol−1
Heat of Formation -924.7 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 615.12 Å 3
Surface Area 469.29 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,5ar,8ar,9s)-9-[2-(2-dimethylaminoethyl-methyl-amino)ethyl]-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • (5r,5ar,8ar,9s)-9-[2-(2-dimethylaminoethyl-methylamino)ethyl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
CAS Number(s)
  • 148262-19-5
InChIKey KLCCMMSKRMSMKI-QVNMXXJYSA-N
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