(4Bs,8R,8As,14Br)-7-(Cyclopropylmethyl)-5,6,7,8,9,14B-Hexahydro-8Ah-4,8-Methanobis[1]Benzofuro[3,2-E:2',3'-G]Isoquinoline-1,8A-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C26H25NO4
IUPAC Name (4bs,8r,8as,14br)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8ah-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol
Molecular Mass 415.481 g·mol−1
Heat of Formation -278.7 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 473.4 Å 3
Surface Area 388.58 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 4,8-methano-5h-bisbenzofuro(3,2-e:2',3'-g)isoquinoline-1,8a(9h)-diol, 7-(cyclopropylmethyl)-6,7,8,14b-tetrahydro-, (8r-(4bs*,8alpha,8beta,14bbeta))-
  • naltriben
  • naltrindole benzofuran
  • pdsp2_001551
CAS Number(s)
  • 111555-58-9
InChIKey ZHVWWEYETMPAMX-IFKAHUTRSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N