(16β,17Alpha,20Alpha)-N-[4-Azido-3-(~125~I)Iodophenyl]-17-Hydroxyyohimban-16-Carboxamide

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Properties Simple | Detailed

Formula C26H27IN6O2
IUPAC Name (1s,13r,15s,18s,19s,20s)-18-hydroxy-n-[(e)-3-iodo-1-methyl-allyl]-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-19-carboxamide; triazane
Molecular Mass 580.436 g·mol−1
Heat of Formation 260.8 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 575.29 Å 3
Surface Area 480.19 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 17-hydroxy-20-yohimban-16-(n-(4-azido-3-iodo)phenyl)carboxamide
  • rau-azpc
CAS Number(s)
  • 108206-16-2
InChIKey OIJUJHQUYGBPNM-NCNAYSDWSA-N
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