Bazedoxifene

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Properties Simple | Detailed

Formula C28H22N2O3
IUPAC Name [2-[1-[[4-[2-(2,5-dihydroazepin-1-yl)ethynoxy]phenyl]methyl]-5-ethynyl-4-(2-hydroxyethynyl)-3-methyl-3h-pyrrol-1-ium-2-yl]cyclopropylidene]methanone
Molecular Mass 434.486 g·mol−1
Heat of Formation 4104.2 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 437.51 Å 3
Surface Area 396.12 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((4-(2-hexahydro-1h-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-1h-indol-5-ol
  • 1-[4-[2-(azepan-1-yl)ethoxy]benzyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol
  • 1-[[4-[2-(1-azepanyl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-5-indolol
  • 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol
  • 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
  • 1h-indol-5-ol, 1-((4-(2-(hexahydro-1h-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-
  • bazedoxifeno
  • way 140424
CAS Number(s)
  • 198481-32-2
InChIKey UCJGJABZCDBEDK-UHFFFAOYSA-N
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