(2β,3Alpha,5Alpha,16β,17β)-3,17-Diacetoxy-2,16-Bis(1-Methyl-1-Piperidiniumyl)Androstane

Molecule SVG Image

Properties Simple | Detailed

Formula C27H26N2O4
IUPAC Name [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 442.506 g·mol−1
Heat of Formation -994.2 ± 16.7 kJ·mol−1
Dipole Moment 10.30 ± 1.08 D
Volume 759.75 Å 3
Surface Area 552.43 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 3.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2)1,1'-(3.alpha.,17.beta.-dihydroxy-5.alpha.-androstan-2.beta., {16.beta.-ylene)bis[1-methylpiperidinium]} dibromide diacetate
  • (2b,3a,5a,16b,17b)-3,17-bis(acetyloxy)-2,16-bis(1-methylpiperidinium-1-yl)androstane-
  • 15500-66-0 (dibromide salt)
  • 17-(acetyloxy)-2,16-bis(1-methyl-1lambda~5~-piperidin-1-yl)androstan-3-yl acetate
  • 2.beta., 16.beta.-dipiperidino-5.alpha.-androstane-3.alpha.,17.beta.-diol diacetate dimethobromide
  • 3.alpha.,17.beta.-diacetoxy-2.beta., 16.beta.-dipiperidino-5.alpha.-androstane dimethobromide
  • 5.alpha.-androstan-3.alpha.,17.beta.-diol, 2.beta., 16.beta.-dipipecolinio-, dibromide, diacetate
  • [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-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-2,16-bis(1-methylpiperidin-1-ium-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-2,16-bis(1-methyl-1-piperidin-1-iumyl)-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-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • bpbio1_001372
  • piperidinium, 1,1'-(3.alpha., 17.beta.-dihydroxy-5.alpha.-androstan-2.beta., {16.beta.-ylene)bis[1-methyl-,} dibromide, diacetate
  • piperidinium, {1,1'-[(2.beta.,3.alpha.,5.alpha.,16.beta.,} {17.beta.)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-,} dibromide
  • piperidinium, {1,1'-[(2.beta.,3.alpha.,5.alpha.,} 16.beta.,17.beta.)-3,17-bis(acetyloxy)androstane-2, {16-diyl]bis[1-methyl]-,} dibromide
  • piperidinium, {1,1'-[2.beta.,} 16.beta.-(3.alpha., 17.beta.-dihydroxy-5.alpha.-androstanylene)]bis(1-methyl-, dibromide, diacetate
  • poncuronium bromide
InChIKey GVEAYVLWDAFXET-XGHATYIMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N