Darifenacin
C28H30N2O2
133099-04-4 Copyright (C) 2025 ACS
 32 36  0  0  1  0  0  0  0  0999 V2000
    4.6200    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9538    6.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7758    6.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1826    5.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    4.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0652    5.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0652    3.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5299    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5299    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    3.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9538    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9538    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4286    6.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8354    5.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2675    8.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0812    6.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5133    9.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9203    8.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5876    6.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3271    9.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3576    7.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  7  1  1  1  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  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
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <cas.rn>
133099-04-4

> <cas.index.name>
3-Pyrrolidineacetamide, 1-[2-(2,3-dihydro-5-benzofuranyl)ethyl]-α,α-diphenyl-, (3S)-

> <molecular.formula>
C28H30N2O2

> <molecular.weight>
426.55

> <boiling.point.predicted>
614.339±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.192±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
15.696±0.50    Most Acidic Temp: 25 °C

$$$$
