Avicalm

Molecule SVG Image

Properties Simple | Detailed

Formula C24H32N2O5
IUPAC Name methyl (1r,13r,15s,17s,18r,19s,20s)-6,17,18-trimethoxy-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-2-ylium-19-carboxylate
Molecular Mass 428.521 g·mol−1
Heat of Formation -735.5 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 514.02 Å 3
Surface Area 414.6 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1178-29-6 (hydrochloride)
  • 3.beta., 20.alpha.-yohimban-16.beta.-carboxylic acid, 11,17.alpha., 18.alpha.-trimethoxy-, methyl ester, monohydrochloride
  • 3.beta.,15.alpha., 20.alpha.-yohimban-16.beta.-carboxylic acid, 11,17.alpha., 18.alpha.-trimethoxy-,methyl ester, hydrochloride
  • 3.beta.,20.alpha.-yohimban-16.beta.-carboxylic acid, 11,17.alpha., 18.alpha.-trimethoxy-, methyl ester, hydrochloride
  • mepireserpate (*hydrochloride*)
  • mepiserate (*hydrochloride*)
  • methoxerpate (*hydrochloride*)
  • methyl (3b,16b,17a,18a,20a)-11,17,18-trimethoxyyohimban-16-carboxylate-
  • methyl 11,17,18-trimethoxyyohimban-16-carboxylate
  • methyl 11,17.alpha., 18.alpha.-trimethoxy-3.beta., 20.alpha.-yohimban-16.beta.-carboxylate monohydrochloride
  • metoserpate-
  • su 8842 (*hydrochloride*)
  • yohimban-16-carboxylic acid, 11,17,18-trimethoxy-, methyl ester, monohydrochloride, (3.beta.,16.beta.,17.alpha.,18.alpha., 20.alpha.)-
InChIKey FPGCYQVKNKEGRQ-SXLQGMKLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N