(3S)-3-[(5R)-9-Bromo-4-Methoxy-6-Methyl-5,6,7,8-Tetrahydro[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl]-6,7-Dimethoxy-2-Benzofuran-1(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C22H22BrNO7
IUPAC Name (3s)-3-[(5r,6s)-9-bromo-4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3h-isobenzofuran-1-one
Molecular Mass 492.317 g·mol−1
Heat of Formation -804.7 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 486.31 Å 3
Surface Area 396.84 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[(5r)-9-bromo-4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3h-isobenzofuran-1-one
  • 1-alpha-methyl-8-methoxy-5-bromo-6,7,-methylenedioxy-1-(6,7, -dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline
InChIKey PLMUFLAOTAHIIZ-SJORKVTESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N