Hydroxychloroquine
C18H26ClN3O
118-42-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  23 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 6.6686 3.0800 0.0 0
M  V30 2 C 8.0022 2.3100 0.0 0
M  V30 3 C 9.3359 3.0800 0.0 0
M  V30 4 C 8.0022 0.7700 0.0 0
M  V30 5 C 10.6697 2.3100 0.0 0
M  V30 6 C 12.0034 3.0800 0.0 0
M  V30 7 N 13.3370 2.3100 0.0 0
M  V30 8 C 14.6707 3.0800 0.0 0
M  V30 9 C 13.3370 0.7700 0.0 0
M  V30 10 C 14.6707 4.6201 0.0 0
M  V30 11 C 14.6707 0.0000 0.0 0
M  V30 12 O 16.0045 5.3901 0.0 0
M  V30 13 Cl 0.0000 5.3901 0.0 0
M  V30 14 C 4.0011 3.0800 0.0 0
M  V30 15 C 2.6675 2.3100 0.0 0
M  V30 16 C 5.3349 2.3100 0.0 0
M  V30 17 C 4.0011 4.6201 0.0 0
M  V30 18 N 2.6675 0.7700 0.0 0
M  V30 19 C 1.3338 3.0800 0.0 0
M  V30 20 C 5.3349 0.7700 0.0 0
M  V30 21 C 2.6675 5.3901 0.0 0
M  V30 22 C 4.0011 0.0000 0.0 0
M  V30 23 C 1.3338 4.6201 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 16
M  V30 3 1 2 3
M  V30 4 1 2 4
M  V30 5 1 3 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 8 10
M  V30 11 1 9 11
M  V30 12 1 10 12
M  V30 13 1 13 23
M  V30 14 2 14 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 2 16 20
M  V30 20 2 17 21
M  V30 21 2 18 22
M  V30 22 2 19 23
M  V30 23 1 20 22
M  V30 24 1 21 23
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
118-42-3

> <cas.index.name>
Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-

> <molecular.formula>
C18H26ClN3O

> <molecular.weight>
335.87

> <melting.point.experimental>
90 °C

> <boiling.point.predicted>
516.7±50.0 °C    Press: 760 Torr

> <density.predicted>
1.176±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
14.76±0.10    Most Acidic Temp: 25 °C

$$$$
