Prianosin A

Molecule SVG Image

Properties Simple | Detailed

Formula C18H14BrN3O2S
IUPAC Name prianosin a
Molecular Mass 416.292 g·mol−1
Heat of Formation 102.3 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 392.26 Å 3
Surface Area 323.33 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (8s-(8alpha,9abeta,13aalpha))-12-bromo-3,5,7,8,9a,10-hexahydro-11h-8,13a-methanopyrrolo(4',3',2':4,5)quino(7,8-d)(1,3)benzothiazepine-6,11(2h)-dione
  • 11h-8,13a-methanopyrrolo(4',3',2':4,5)quino(7,8-d)(1,3)benzothiazepine-6,11(2h)-dione, 12-bromo-3,5,7,8,9a,10-hexahydro-, (8s-(8alpha,9abeta,13aalpha))-
  • 12-bromo-3,5,7,8,9a,10-hexahydro-11h-8,13a-methanopyrrolo(4',3',2':4,5)quino(7,8-d)(1,3)benzothiazepine-6,11(2h)-dione (8s-(8alpha,9abeta,13aalpha))-
  • discorhabdine a
CAS Number(s)
  • 112515-41-0
InChIKey IMRWMDAHKYBDMQ-DDBGAENHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N S Br