5,8-Dichloro-2-[(1,2-dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-3,4...
C22H24Cl2N2O5
1844849-10-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  31 34 0 0 1
M  V30 BEGIN ATOM
M  V30 1 Cl 5.8872 6.1601 0.0 0
M  V30 2 O 8.5547 6.1601 0.0 0
M  V30 3 Cl 5.8872 0.0000 0.0 0
M  V30 4 C 3.2199 4.6201 0.0 0 CFG=2
M  V30 5 O 3.2199 6.1601 0.0 0
M  V30 6 C 1.8861 6.9302 0.0 0
M  V30 7 C 11.2221 4.6201 0.0 0
M  V30 8 O 13.8896 6.1601 0.0 0
M  V30 9 C 15.2232 6.9302 0.0 0
M  V30 10 O 11.2221 1.5400 0.0 0
M  V30 11 C 16.5569 1.5400 0.0 0
M  V30 12 C 7.2209 3.8501 0.0 0
M  V30 13 C 7.2209 2.3101 0.0 0
M  V30 14 C 5.8872 4.6201 0.0 0
M  V30 15 C 8.5547 4.6201 0.0 0
M  V30 16 C 5.8872 1.5400 0.0 0
M  V30 17 C 8.5547 1.5400 0.0 0
M  V30 18 C 4.5536 3.8501 0.0 0
M  V30 19 N 9.8884 3.8501 0.0 0
M  V30 20 C 4.5536 2.3101 0.0 0
M  V30 21 C 9.8884 2.3101 0.0 0
M  V30 22 C 1.8861 3.8501 0.0 0
M  V30 23 C 0.3986 4.2486 0.0 0
M  V30 24 C 1.4875 2.3626 0.0 0
M  V30 25 O 0.0000 2.7611 0.0 0
M  V30 26 C 12.5557 3.8501 0.0 0
M  V30 27 C 13.8896 4.6201 0.0 0
M  V30 28 C 12.5557 2.3101 0.0 0
M  V30 29 C 15.2232 3.8501 0.0 0
M  V30 30 N 13.8896 1.5400 0.0 0
M  V30 31 C 15.2232 2.3101 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 14
M  V30 2 2 2 15
M  V30 3 1 3 16
M  V30 4 1 4 5 CFG=1
M  V30 5 1 4 18
M  V30 6 1 4 22
M  V30 7 1 5 6
M  V30 8 1 7 19
M  V30 9 1 7 26
M  V30 10 1 8 9
M  V30 11 1 8 27
M  V30 12 2 10 28
M  V30 13 1 11 31
M  V30 14 1 12 13
M  V30 15 2 12 14
M  V30 16 1 12 15
M  V30 17 2 13 16
M  V30 18 1 13 17
M  V30 19 1 14 18
M  V30 20 1 15 19
M  V30 21 1 16 20
M  V30 22 1 17 21
M  V30 23 2 18 20
M  V30 24 1 19 21
M  V30 25 1 22 23
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 1 24 25
M  V30 29 2 26 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 1 28 30
M  V30 33 2 29 31
M  V30 34 1 30 31
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>
1844849-10-0

> <cas.index.name>
1(2H)-Isoquinolinone, 5,8-dichloro-2-[(1,2-dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-3,4-dihydro-7-[(R)-methoxy-3-oxetanylmethyl]-

> <molecular.formula>
C22H24Cl2N2O5

> <molecular.weight>
467.34

> <boiling.point.predicted>
710.7±60.0 °C    Press: 760 Torr

> <density.predicted>
1.41±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.80±0.10    Most Acidic Temp: 25 °C

$$$$
