1-[6-[[(17β)-3-Methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]-2,5-pyrrolidin...
C29H42N2O3
142878-12-4 Copyright (C) 2024 ACS
 37 41  0  0  1  0  0  0  0  0999 V2000
   10.9152    5.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6608    5.6153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1253    6.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2699    5.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9497    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0941    2.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5588    2.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7031    1.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7385    5.1558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4137    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    7.6592    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2400    7.6592    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9300    6.3256    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9300    8.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    6.3256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2704    8.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    6.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    8.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5163    6.6457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2400    4.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6774    8.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    7.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    7.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1678    2.4452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6437    3.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4137    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1837    3.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6596    2.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986    9.1468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2668    9.1990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    4.9919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  1  6  0  0  0
  2  3  1  0  0  0  0
 22  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 11 31  2  0  0  0  0
 12 32  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 35  1  6  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 36  1  1  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 37  1  1  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  2  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 30 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 34  1  0  0  0  0
M  END
> <cas.rn>
142878-12-4

> <cas.index.name>
2,5-Pyrrolidinedione, 1-[6-[[(17β)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]-

> <molecular.formula>
C29H42N2O3

> <molecular.weight>
466.66

> <boiling.point.predicted>
641.527±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.151±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.679±0.40    Most Basic Temp: 25 °C

$$$$
