Bazedoxifene
C30H34N2O3
198481-32-2 Copyright (C) 2024 ACS
 35 39  0  0  0  0  0  0  0  0999 V2000
    5.6420    7.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9473    4.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6675    5.9902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6979    7.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2043    6.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    6.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    6.1265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536    4.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2654    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2654    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    7.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    8.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    7.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   10.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   10.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484    6.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1789    8.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6243    5.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    7.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1306    5.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1612    6.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2348    7.9588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7130    7.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6508    9.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9723    8.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4008   10.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0644    9.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9200   10.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 23  1  0  0  0  0
  2 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <cas.rn>
198481-32-2

> <cas.index.name>
1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-

> <molecular.formula>
C30H34N2O3

> <molecular.weight>
470.60

> <boiling.point.predicted>
694.404±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.194±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.124±0.15    Most Acidic Temp: 25 °C

$$$$
