Vilanterol
C24H33Cl2NO5
503068-34-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  32 33 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 5.3348 3.0801 0.0 0 CFG=1
M  V30 2 C 6.6687 2.3101 0.0 0
M  V30 3 O 5.3348 4.6201 0.0 0
M  V30 4 N 8.0023 3.0801 0.0 0
M  V30 5 C 9.3360 2.3101 0.0 0
M  V30 6 C 10.6697 3.0801 0.0 0
M  V30 7 C 12.0035 2.3101 0.0 0
M  V30 8 C 13.3372 3.0801 0.0 0
M  V30 9 C 14.6708 2.3101 0.0 0
M  V30 10 C 16.0046 3.0801 0.0 0
M  V30 11 O 17.3383 2.3101 0.0 0
M  V30 12 C 18.6720 3.0801 0.0 0
M  V30 13 C 20.0057 2.3101 0.0 0
M  V30 14 O 21.3395 3.0801 0.0 0
M  V30 15 C 22.6731 2.3101 0.0 0
M  V30 16 C 0.0000 3.0801 0.0 0
M  V30 17 O 0.0000 4.6201 0.0 0
M  V30 18 O 0.0000 0.0000 0.0 0
M  V30 19 Cl 22.6731 5.3901 0.0 0
M  V30 20 Cl 25.3405 0.7700 0.0 0
M  V30 21 C 4.0012 2.3101 0.0 0
M  V30 22 C 2.6675 3.0801 0.0 0
M  V30 23 C 4.0012 0.7700 0.0 0
M  V30 24 C 1.3338 2.3101 0.0 0
M  V30 25 C 2.6675 0.0000 0.0 0
M  V30 26 C 1.3338 0.7700 0.0 0
M  V30 27 C 24.0068 3.0801 0.0 0
M  V30 28 C 24.0068 4.6201 0.0 0
M  V30 29 C 25.3405 2.3101 0.0 0
M  V30 30 C 25.3405 5.3901 0.0 0
M  V30 31 C 26.6743 3.0801 0.0 0
M  V30 32 C 26.6743 4.6201 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3 CFG=1
M  V30 3 1 1 21
M  V30 4 1 2 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 1 14 15
M  V30 16 1 15 27
M  V30 17 1 16 17
M  V30 18 1 16 24
M  V30 19 1 18 26
M  V30 20 1 19 28
M  V30 21 1 20 29
M  V30 22 2 21 22
M  V30 23 1 21 23
M  V30 24 1 22 24
M  V30 25 2 23 25
M  V30 26 2 24 26
M  V30 27 1 25 26
M  V30 28 2 27 28
M  V30 29 1 27 29
M  V30 30 1 28 30
M  V30 31 2 29 31
M  V30 32 2 30 32
M  V30 33 1 31 32
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 1)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
503068-34-6

> <cas.index.name>
1,3-Benzenedimethanol, α1-[[[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexyl]amino]methyl]-4-hydroxy-, (α1R)-

> <molecular.formula>
C24H33Cl2NO5

> <molecular.weight>
486.43

> <boiling.point.predicted>
646.7±55.0 °C    Press: 760 Torr

> <density.predicted>
1.255±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.99±0.20    Most Acidic Temp: 25 °C

$$$$
