(16β,17Alpha,20Alpha)-N-(4-Aminophenyl)-17-Hydroxyyohimban-16-Carboxamide

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Formula C26H30N4O2
IUPAC Name (1s,13r,15s,18s,19s,20s)-n-(4-aminophenyl)-18-hydroxy-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-2-ylium-19-carboxamide
Molecular Mass 430.542 g·mol−1
Heat of Formation -143.0 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 512.51 Å 3
Surface Area 430.01 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 4-aminophenylcarboxamide rauwolscine
  • r-4-apca
  • rauwolscine 4-aminophenylcarboxamide
CAS Number(s)
  • 108206-13-9
InChIKey YOEFRCOYIGZZEZ-JKSKAUHQSA-N
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