1-Butanone, 1-(4-fluorophenyl)-4-[(6bR,10aS)-2,3,6b,9,10,10a-hexahydro-3-meth...
C24H28FN3O.C7H8O3S
1187020-80-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  42 46 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.0000 7.0007 0.0 0
M  V30 2 C 10.2226 9.4932 0.0 0
M  V30 3 C 10.9926 10.8268 0.0 0
M  V30 4 C 12.5326 10.8268 0.0 0
M  V30 5 C 13.3026 12.1605 0.0 0
M  V30 6 O 12.5326 13.4941 0.0 0
M  V30 7 F 19.4626 12.1605 0.0 0
M  V30 8 C 3.9865 7.6697 0.0 0
M  V30 9 C 5.3326 6.9948 0.0 0
M  V30 10 N 4.0752 9.1729 0.0 0
M  V30 11 C 2.6707 6.9101 0.0 0
M  V30 12 C 6.3725 8.1594 0.0 0 CFG=2
M  V30 13 C 5.3771 5.4414 0.0 0
M  V30 14 C 5.6025 9.4932 0.0 0 CFG=1
M  V30 15 C 2.7521 9.9882 0.0 0
M  V30 16 N 1.3552 7.7322 0.0 0
M  V30 17 C 2.7249 5.3598 0.0 0
M  V30 18 C 7.9125 8.1594 0.0 0
M  V30 19 C 4.0752 4.6200 0.0 0
M  V30 20 C 6.3725 10.8268 0.0 0
M  V30 21 C 1.3897 9.2714 0.0 0
M  V30 22 N 8.6826 9.4932 0.0 0
M  V30 23 C 7.9125 10.8268 0.0 0
M  V30 24 C 14.8426 12.1605 0.0 0
M  V30 25 C 15.6126 10.8268 0.0 0
M  V30 26 C 15.6126 13.4941 0.0 0
M  V30 27 C 17.1526 10.8268 0.0 0
M  V30 28 C 17.1526 13.4941 0.0 0
M  V30 29 C 17.9226 12.1605 0.0 0
M  V30 30 H 7.0018 6.7540 0.0 0
M  V30 31 H 4.6990 10.7403 0.0 0
M  V30 32 S 7.4213 1.5400 0.0 0 VAL=6
M  V30 33 O 7.4213 3.0800 0.0 0
M  V30 34 O 7.4213 0.0000 0.0 0
M  V30 35 O 5.8813 1.5400 0.0 0
M  V30 36 C 13.5813 1.5400 0.0 0
M  V30 37 C 8.9613 1.5400 0.0 0
M  V30 38 C 9.7313 0.2064 0.0 0
M  V30 39 C 9.7313 2.8736 0.0 0
M  V30 40 C 11.2713 0.2064 0.0 0
M  V30 41 C 11.2713 2.8736 0.0 0
M  V30 42 C 12.0413 1.5400 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 16
M  V30 2 1 2 3
M  V30 3 1 2 22
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 5 24
M  V30 8 1 7 29
M  V30 9 1 8 9
M  V30 10 1 8 10
M  V30 11 2 8 11
M  V30 12 1 9 12
M  V30 13 2 9 13
M  V30 14 1 10 14
M  V30 15 1 10 15
M  V30 16 1 11 16
M  V30 17 1 11 17
M  V30 18 1 12 14
M  V30 19 1 12 18
M  V30 20 1 12 30 CFG=3
M  V30 21 1 13 19
M  V30 22 1 14 20
M  V30 23 1 14 31 CFG=3
M  V30 24 1 15 21
M  V30 25 1 16 21
M  V30 26 2 17 19
M  V30 27 1 18 22
M  V30 28 1 20 23
M  V30 29 1 22 23
M  V30 30 2 24 25
M  V30 31 1 24 26
M  V30 32 1 25 27
M  V30 33 2 26 28
M  V30 34 2 27 29
M  V30 35 1 28 29
M  V30 36 2 32 33
M  V30 37 2 32 34
M  V30 38 1 32 35
M  V30 39 1 32 37
M  V30 40 1 36 42
M  V30 41 2 37 38
M  V30 42 1 37 39
M  V30 43 1 38 40
M  V30 44 2 39 41
M  V30 45 2 40 42
M  V30 46 1 41 42
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 12 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1187020-80-9

> <cas.index.name>
1-Butanone, 1-(4-fluorophenyl)-4-[(6bR,10aS)-2,3,6b,9,10,10a-hexahydro-3-methyl-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl]-, 4-methylbenzenesulfonate (1:1)

> <molecular.formula>
C24H28FN3O.C7H8O3S

> <molecular.weight>
565.70

$$$$
