Cariprazine
C21H32Cl2N4O
839712-12-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  28 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 2.6674 4.6200 0.0 0
M  V30 2 Cl 0.0000 3.0800 0.0 0
M  V30 3 C 9.3358 5.3900 0.0 0
M  V30 4 C 10.6694 4.6200 0.0 0
M  V30 5 N 16.0041 7.7000 0.0 0
M  V30 6 C 17.3378 6.9300 0.0 0
M  V30 7 N 18.6716 7.7000 0.0 0
M  V30 8 O 17.3378 5.3900 0.0 0
M  V30 9 C 18.6716 9.2400 0.0 0
M  V30 10 C 20.0052 6.9300 0.0 0
M  V30 11 N 5.3347 3.0800 0.0 0
M  V30 12 C 5.3347 4.6200 0.0 0
M  V30 13 C 6.6684 2.3100 0.0 0
M  V30 14 C 6.6684 5.3900 0.0 0
M  V30 15 C 8.0021 3.0800 0.0 0
M  V30 16 N 8.0021 4.6200 0.0 0
M  V30 17 C 4.0011 2.3100 0.0 0
M  V30 18 C 2.6674 3.0800 0.0 0
M  V30 19 C 4.0011 0.7700 0.0 0
M  V30 20 C 1.3336 2.3100 0.0 0
M  V30 21 C 2.6674 0.0000 0.0 0
M  V30 22 C 1.3336 0.7700 0.0 0
M  V30 23 C 12.0031 5.3900 0.0 0 CFG=2
M  V30 24 C 12.0031 6.9300 0.0 0
M  V30 25 C 13.3369 4.6200 0.0 0
M  V30 26 C 13.3369 7.7000 0.0 0
M  V30 27 C 14.6705 5.3900 0.0 0
M  V30 28 C 14.6705 6.9300 0.0 0 CFG=2
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 18
M  V30 2 1 2 20
M  V30 3 1 3 4
M  V30 4 1 3 16
M  V30 5 1 23 4 CFG=1
M  V30 6 1 5 6
M  V30 7 1 28 5 CFG=3
M  V30 8 1 6 7
M  V30 9 2 6 8
M  V30 10 1 7 9
M  V30 11 1 7 10
M  V30 12 1 11 12
M  V30 13 1 11 13
M  V30 14 1 11 17
M  V30 15 1 12 14
M  V30 16 1 13 15
M  V30 17 1 14 16
M  V30 18 1 15 16
M  V30 19 2 17 18
M  V30 20 1 17 19
M  V30 21 1 18 20
M  V30 22 2 19 21
M  V30 23 2 20 22
M  V30 24 1 21 22
M  V30 25 1 23 24
M  V30 26 1 23 25
M  V30 27 1 24 26
M  V30 28 1 25 27
M  V30 29 1 26 28
M  V30 30 1 27 28
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEREL1 ATOMS=(2 23 28)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
839712-12-8

> <cas.index.name>
Urea, N′-[trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]-N,N-dimethyl-

> <molecular.formula>
C21H32Cl2N4O

> <molecular.weight>
427.41

> <melting.point.experimental>
208.3-210.3 °C

> <boiling.point.predicted>
600.1±55.0 °C    Press: 760 Torr

> <density.predicted>
1.24±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.96±0.40    Most Acidic Temp: 25 °C

$$$$
