Vecuronium

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Formula C34H57N2O4+
IUPAC Name [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-17-acetoxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 557.827 g·mol−1
Heat of Formation 4812.2 ± 16.7 kJ·mol−1
Dipole Moment 14.27 ± 1.08 D
Volume 591.51 Å 3
Surface Area 478.16 Å 2
HOMO Energy -7.31 ± 0.55 eV
LUMO Energy -3.42 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-acetoxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-acetoxy-10,13-dimethyl-16-(1-methyl-1-piperidin-1-iumyl)-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-acetoxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • piperidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl)-1-methyl-
CAS Number(s)
  • 86029-43-8
InChIKey BGSZAXLLHYERSY-XQIGCQGXSA-N
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