Dapoxetine
C21H23NO
119356-77-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  23 25 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 5.3348 2.3101 0.0 0
M  V30 2 C 6.6685 3.0801 0.0 0
M  V30 3 C 8.0022 2.3101 0.0 0
M  V30 4 C 9.3360 3.0801 0.0 0 CFG=1
M  V30 5 N 9.3360 4.6201 0.0 0
M  V30 6 C 8.0022 5.3901 0.0 0
M  V30 7 C 10.6697 5.3901 0.0 0
M  V30 8 C 2.6673 2.3101 0.0 0
M  V30 9 C 4.0010 3.0801 0.0 0
M  V30 10 C 1.3337 3.0801 0.0 0
M  V30 11 C 2.6673 0.7700 0.0 0
M  V30 12 C 4.0010 4.6201 0.0 0
M  V30 13 C 1.3337 4.6201 0.0 0
M  V30 14 C 0.0000 2.3101 0.0 0
M  V30 15 C 1.3337 0.0000 0.0 0
M  V30 16 C 2.6673 5.3901 0.0 0
M  V30 17 C 0.0000 0.7700 0.0 0
M  V30 18 C 10.6697 2.3101 0.0 0
M  V30 19 C 12.0033 3.0801 0.0 0
M  V30 20 C 10.6697 0.7700 0.0 0
M  V30 21 C 13.3370 2.3101 0.0 0
M  V30 22 C 12.0033 0.0000 0.0 0
M  V30 23 C 13.3370 0.7700 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 9
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5 CFG=3
M  V30 6 1 4 18
M  V30 7 1 5 6
M  V30 8 1 5 7
M  V30 9 1 8 9
M  V30 10 2 8 10
M  V30 11 1 8 11
M  V30 12 2 9 12
M  V30 13 1 10 13
M  V30 14 1 10 14
M  V30 15 2 11 15
M  V30 16 1 12 16
M  V30 17 2 13 16
M  V30 18 2 14 17
M  V30 19 1 15 17
M  V30 20 2 18 19
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 23 2 20 22
M  V30 24 2 21 23
M  V30 25 1 22 23
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
119356-77-3

> <cas.index.name>
Benzenemethanamine, N,N-dimethyl-α-[2-(1-naphthalenyloxy)ethyl]-, (αS)-

> <molecular.formula>
C21H23NO

> <molecular.weight>
305.41

> <boiling.point.predicted>
454.4±38.0 °C    Press: 760 Torr

> <density.predicted>
1.081±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.38±0.50    Most Basic Temp: 25 °C

$$$$
