Ziprasidone
C21H21ClN4OS
146939-27-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  28 32 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 9.6741 4.0011 0.0 0
M  V30 2 C 10.4441 2.6674 0.0 0
M  V30 3 Cl 11.9841 0.0000 0.0 0
M  V30 4 O 18.0651 5.2891 0.0 0
M  V30 5 C 3.5141 4.0011 0.0 0
M  V30 6 C 2.6091 5.2469 0.0 0
M  V30 7 N 2.6091 2.7552 0.0 0
M  V30 8 C 1.1444 4.7711 0.0 0
M  V30 9 C 2.9292 6.7534 0.0 0
M  V30 10 S 1.1444 3.2311 0.0 0
M  V30 11 C 0.0000 5.8015 0.0 0
M  V30 12 C 1.7847 7.7838 0.0 0
M  V30 13 C 0.3202 7.3079 0.0 0
M  V30 14 N 5.0541 4.0011 0.0 0
M  V30 15 C 5.8241 2.6674 0.0 0
M  V30 16 C 5.8241 5.3347 0.0 0
M  V30 17 C 7.3641 2.6674 0.0 0
M  V30 18 C 7.3641 5.3347 0.0 0
M  V30 19 N 8.1341 4.0011 0.0 0
M  V30 20 C 11.9841 2.6674 0.0 0
M  V30 21 C 12.7541 4.0011 0.0 0
M  V30 22 C 12.7541 1.3336 0.0 0
M  V30 23 C 14.2941 4.0011 0.0 0
M  V30 24 C 14.2941 1.3336 0.0 0
M  V30 25 C 15.0641 2.6674 0.0 0
M  V30 26 C 15.3247 5.1454 0.0 0
M  V30 27 N 16.5706 2.9876 0.0 0
M  V30 28 C 16.7315 4.5191 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 19
M  V30 3 1 2 20
M  V30 4 1 3 22
M  V30 5 2 4 28
M  V30 6 1 5 6
M  V30 7 2 5 7
M  V30 8 1 5 14
M  V30 9 1 6 8
M  V30 10 2 6 9
M  V30 11 1 7 10
M  V30 12 1 8 10
M  V30 13 2 8 11
M  V30 14 1 9 12
M  V30 15 1 11 13
M  V30 16 2 12 13
M  V30 17 1 14 15
M  V30 18 1 14 16
M  V30 19 1 15 17
M  V30 20 1 16 18
M  V30 21 1 17 19
M  V30 22 1 18 19
M  V30 23 1 20 21
M  V30 24 2 20 22
M  V30 25 2 21 23
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 1 23 26
M  V30 29 2 24 25
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 1 27 28
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
146939-27-7

> <cas.index.name>
2H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-

> <molecular.formula>
C21H21ClN4OS

> <molecular.weight>
412.94

> <melting.point.experimental>
304 °C

> <boiling.point.predicted>
554.8±50.0 °C    Press: 760 Torr

> <density.predicted>
1.369±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.34±0.20    Most Acidic Temp: 25 °C

$$$$
