Siramesine
C30H31FN2O
147817-50-3 Copyright (C) 2025 ACS
 34 39  0  0  0  0  0  0  0  0999 V2000
    8.1341    6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9041    5.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4441    5.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2141    3.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1075    8.1734    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5141    6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    7.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    5.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2841    7.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2841    5.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1444    7.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    9.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1444    5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8241    7.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8241    5.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847   10.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941    6.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3202    9.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7541    3.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6593    2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6593    5.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1240    3.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3392    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1240    4.5527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2684    1.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4837    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9482    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3699    5.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7767    4.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2090    6.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0227    5.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4548    7.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8616    7.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 20  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 29  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <cas.rn>
147817-50-3

> <cas.index.name>
Spiro[isobenzofuran-1(3H),4′-piperidine], 1′-[4-[1-(4-fluorophenyl)-1H-indol-3-yl]butyl]-

> <molecular.formula>
C30H31FN2O

> <molecular.weight>
454.58

> <boiling.point.predicted>
611.447±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.195±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.453±0.20    Most Basic Temp: 25 °C

$$$$
