(-)-Paroxetine
C19H20FNO3
61869-08-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  24 27 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.0012 6.1601 0.0 0
M  V30 2 O 5.3348 6.9302 0.0 0
M  V30 3 F 1.3337 0.0000 0.0 0
M  V30 4 C 1.3337 6.1601 0.0 0 CFG=2
M  V30 5 C 2.6673 6.9302 0.0 0 CFG=2
M  V30 6 C 0.0000 6.9302 0.0 0
M  V30 7 C 2.6673 8.4702 0.0 0
M  V30 8 C 0.0000 8.4702 0.0 0
M  V30 9 N 1.3337 9.2402 0.0 0
M  V30 10 C 1.3337 4.6201 0.0 0
M  V30 11 C 2.6673 3.8501 0.0 0
M  V30 12 C 0.0000 3.8501 0.0 0
M  V30 13 C 2.6673 2.3101 0.0 0
M  V30 14 C 0.0000 2.3101 0.0 0
M  V30 15 C 1.3337 1.5400 0.0 0
M  V30 16 C 6.6685 6.1601 0.0 0
M  V30 17 C 8.0022 6.9302 0.0 0
M  V30 18 C 6.6685 4.6201 0.0 0
M  V30 19 C 9.3360 6.1601 0.0 0
M  V30 20 C 8.0022 3.8501 0.0 0
M  V30 21 C 9.3360 4.6201 0.0 0
M  V30 22 O 10.8006 6.6360 0.0 0
M  V30 23 O 10.8006 4.1442 0.0 0
M  V30 24 C 11.7058 5.3901 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 5 1 CFG=1
M  V30 3 1 2 16
M  V30 4 1 3 15
M  V30 5 1 4 5
M  V30 6 1 4 6
M  V30 7 1 4 10 CFG=3
M  V30 8 1 5 7
M  V30 9 1 6 8
M  V30 10 1 7 9
M  V30 11 1 8 9
M  V30 12 2 10 11
M  V30 13 1 10 12
M  V30 14 1 11 13
M  V30 15 2 12 14
M  V30 16 2 13 15
M  V30 17 1 14 15
M  V30 18 1 16 17
M  V30 19 2 16 18
M  V30 20 2 17 19
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 23 1 19 22
M  V30 24 2 20 21
M  V30 25 1 21 23
M  V30 26 1 22 24
M  V30 27 1 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 4 5)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
61869-08-7

> <cas.index.name>
Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)-

> <molecular.formula>
C19H20FNO3

> <molecular.weight>
329.37

> <melting.point.experimental>
121-123 °C

> <boiling.point.predicted>
451.7±45.0 °C    Press: 760 Torr

> <density.predicted>
1.213±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.68±0.10    Most Basic Temp: 25 °C

$$$$
