(1R,3R)-7-[2-(Hydroxymethyl)-4,5-Dimethoxy-1-Naphthyl]-1,3-Dimethyl-1,2,3,4-Tetrahydro-8-Isoquinolinol

Molecule SVG Image

Properties Simple | Detailed

Formula C24H27NO4
IUPAC Name (1r,3r)-7-[2-(hydroxymethyl)-4,5-dimethoxy-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Molecular Mass 393.475 g·mol−1
Heat of Formation -519.1 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 475.59 Å 3
Surface Area 386.72 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r)-7-(4,5-dimethoxy-2-methylol-1-naphthyl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
  • (1r,3r)-7-[2-(hydroxymethyl)-4,5-dimethoxy-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
  • (1r,3r)-7-[2-(hydroxymethyl)-4,5-dimethoxy-naphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
  • (1r,3r)-7-[2-(hydroxymethyl)-4,5-dimethoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
  • 7-(2-hydroxymethyl-4,5-dimethoxy-naphtalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
  • 8-isoquinolinol, 1,2,3,4-tetrahydro-7-(2-(hydroxymethyl)-4,5-dimethoxy-1-naphthalenyl)-1,3-dimethyl-, (1r,3r,7r)-
  • 8-isoquinolinol, 1,2,3,4-tetrahydro-7-[2-(hydroxymethyl)-4,5-dimethoxy-1-naphthalenyl]-1,3-dimethyl-, (1r,3r)-
  • habropetaline a
  • rel-(1r,3r)-7-[2-(hydroxymethyl)-4,5-dimethoxy-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CAS Number(s)
  • 76372-22-0
InChIKey UORJGZQGXAWGDM-ZIAGYGMSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N