Methanone, cyclopropyl[5-[[4-[4-[[(4S)-4-hydroxy-2-isoxazolidinyl]methyl]-3-m...
C25H27N7O3.2CH4O3S
2043659-93-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  40 44 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.9710 9.3147 0.0 0
M  V30 2 O 3.2911 10.8211 0.0 0
M  V30 3 C 5.6815 4.6200 0.0 0
M  V30 4 N 8.7018 11.2719 0.0 0
M  V30 5 C 16.5804 16.2328 0.0 0
M  V30 6 C 13.6789 17.9080 0.0 0
M  V30 7 O 21.7362 14.5576 0.0 0
M  V30 8 C 5.6218 8.6044 0.0 0
M  V30 9 C 4.1155 8.2843 0.0 0
M  V30 10 C 6.3918 7.2708 0.0 0
M  V30 11 C 6.3918 9.9381 0.0 0
M  V30 12 C 3.9546 6.7527 0.0 0
M  V30 13 N 5.3614 6.1263 0.0 0
M  V30 14 C 7.9318 7.2708 0.0 0
M  V30 15 C 7.9318 9.9381 0.0 0
M  V30 16 C 8.7018 8.6044 0.0 0
M  V30 17 C 1.5064 8.8388 0.0 0
M  V30 18 C 0.0000 9.1590 0.0 0
M  V30 19 C 0.4759 7.6945 0.0 0
M  V30 20 C 10.2418 11.2719 0.0 0
M  V30 21 N 11.0118 12.6055 0.0 0
M  V30 22 N 11.0118 9.9381 0.0 0
M  V30 23 C 12.5518 12.6055 0.0 0
M  V30 24 C 12.5518 9.9381 0.0 0
M  V30 25 C 13.3218 11.2719 0.0 0
M  V30 26 N 13.3218 13.9392 0.0 0
M  V30 27 C 14.8535 14.1001 0.0 0
M  V30 28 N 12.6955 15.3461 0.0 0
M  V30 29 C 15.1736 15.6065 0.0 0
M  V30 30 C 13.8398 16.3765 0.0 0
M  V30 31 N 17.8263 15.3276 0.0 0
M  V30 32 C 19.2910 15.8036 0.0 0
M  V30 33 O 17.8263 13.7876 0.0 0
M  V30 34 C 20.1962 14.5576 0.0 0 CFG=2
M  V30 35 C 19.2910 13.3118 0.0 0
M  V30 36 S 10.8681 1.5400 0.0 0 VAL=6
M  V30 37 C 9.3281 1.5400 0.0 0
M  V30 38 O 10.8681 3.0800 0.0 0
M  V30 39 O 10.8681 0.0000 0.0 0
M  V30 40 O 12.4081 1.5400 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 9
M  V30 3 1 1 17
M  V30 4 1 3 13
M  V30 5 1 4 15
M  V30 6 1 4 20
M  V30 7 1 5 29
M  V30 8 1 5 31
M  V30 9 1 6 30
M  V30 10 1 34 7 CFG=3
M  V30 11 1 8 9
M  V30 12 1 8 10
M  V30 13 2 8 11
M  V30 14 2 9 12
M  V30 15 1 10 13
M  V30 16 2 10 14
M  V30 17 1 11 15
M  V30 18 1 12 13
M  V30 19 1 14 16
M  V30 20 2 15 16
M  V30 21 1 17 18
M  V30 22 1 17 19
M  V30 23 1 18 19
M  V30 24 1 20 21
M  V30 25 2 20 22
M  V30 26 2 21 23
M  V30 27 1 22 24
M  V30 28 1 23 25
M  V30 29 1 23 26
M  V30 30 2 24 25
M  V30 31 1 26 27
M  V30 32 1 26 28
M  V30 33 2 27 29
M  V30 34 2 28 30
M  V30 35 1 29 30
M  V30 36 1 31 32
M  V30 37 1 31 33
M  V30 38 1 32 34
M  V30 39 1 33 35
M  V30 40 1 34 35
M  V30 41 1 36 37
M  V30 42 2 36 38
M  V30 43 2 36 39
M  V30 44 1 36 40
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 34)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2043659-93-2

> <cas.index.name>
Methanone, cyclopropyl[5-[[4-[4-[[(4S)-4-hydroxy-2-isoxazolidinyl]methyl]-3-methyl-1H-pyrazol-1-yl]-2-pyrimidinyl]amino]-1-methyl-1H-indol-3-yl]-, methanesulfonate (1:2)

> <molecular.formula>
C25H27N7O3.2CH4O3S

> <molecular.weight>
665.74

$$$$
