Narcotoline

Molecule SVG Image

Properties Simple | Detailed

Formula C21H21NO7
IUPAC Name (3s)-3-[(5r,6s)-4-hydroxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3h-isobenzofuran-1-one
Molecular Mass 399.394 g·mol−1
Heat of Formation -840.7 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 440.53 Å 3
Surface Area 371.75 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[(5r)-4-hydroxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3h-2-benzofuran-1-one
  • (3s)-3-[(5r)-4-hydroxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3h-isobenzofuran-1-one
  • (s-(r*,r*))-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)phthalide
CAS Number(s)
  • 521-40-4
InChIKey LMGZCSKYOKDBES-AEFFLSMTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N