3-Pyridinecarboxamide, 2-amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-[4-[(1R,...
C30H38N4O3.xC4H4O4
2173390-30-0 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  46 51 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 15.6043 10.4523 0.0 0
M  V30 2 N 16.9381 11.2223 0.0 0
M  V30 3 O 15.6043 8.9123 0.0 0
M  V30 4 N 15.6043 13.5323 0.0 0
M  V30 5 O 22.2728 8.1423 0.0 0
M  V30 6 C 6.2686 8.1423 0.0 0 CFG=2
M  V30 7 C 5.3634 6.8964 0.0 0 CFG=1
M  V30 8 C 6.8949 6.7354 0.0 0
M  V30 9 C 5.3634 9.3882 0.0 0
M  V30 10 C 3.8987 7.3723 0.0 0
M  V30 11 N 3.8987 8.9123 0.0 0
M  V30 12 C 7.6022 8.9123 0.0 0
M  V30 13 C 8.9359 8.1423 0.0 0
M  V30 14 C 7.6022 10.4523 0.0 0
M  V30 15 C 10.2695 8.9123 0.0 0
M  V30 16 C 8.9359 11.2223 0.0 0
M  V30 17 C 10.2695 10.4523 0.0 0
M  V30 18 C 2.6528 9.8175 0.0 0
M  V30 19 C 1.2460 9.1910 0.0 0
M  V30 20 C 2.8137 11.3491 0.0 0
M  V30 21 C 0.0000 10.0963 0.0 0
M  V30 22 C 1.5679 12.2543 0.0 0
M  V30 23 O 0.1611 11.6278 0.0 0
M  V30 24 C 11.6033 11.2223 0.0 0
M  V30 25 C 12.9370 10.4523 0.0 0
M  V30 26 C 11.6033 12.7623 0.0 0
M  V30 27 C 14.2706 11.2223 0.0 0
M  V30 28 N 12.9370 13.5323 0.0 0
M  V30 29 C 14.2706 12.7623 0.0 0
M  V30 30 C 18.2717 10.4523 0.0 0
M  V30 31 C 18.2711 8.9114 0.0 0
M  V30 32 C 19.6058 11.2232 0.0 0
M  V30 33 C 19.3987 10.4537 0.0 0
M  V30 34 C 19.6049 8.1414 0.0 0
M  V30 35 C 20.9396 10.4532 0.0 0
M  V30 36 C 20.3768 9.8890 0.0 0
M  V30 37 C 20.9390 8.9123 0.0 0
M  V30 38 H 5.0432 5.3900 0.0 0
M  V30 39 C 10.4696 2.3100 0.0 0
M  V30 40 C 11.8032 1.5400 0.0 0
M  V30 41 C 9.1360 1.5400 0.0 0
M  V30 42 C 13.1369 2.3100 0.0 0
M  V30 43 O 7.8022 2.3100 0.0 0
M  V30 44 O 9.1360 0.0000 0.0 0
M  V30 45 O 13.1369 3.8500 0.0 0
M  V30 46 O 14.4707 1.5400 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 27
M  V30 4 1 2 30
M  V30 5 1 4 29
M  V30 6 1 5 37
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 6 9
M  V30 10 1 6 12 CFG=1
M  V30 11 1 7 8
M  V30 12 1 7 10
M  V30 13 1 7 38 CFG=1
M  V30 14 1 9 11
M  V30 15 1 10 11
M  V30 16 1 11 18
M  V30 17 2 12 13
M  V30 18 1 12 14
M  V30 19 1 13 15
M  V30 20 2 14 16
M  V30 21 2 15 17
M  V30 22 1 16 17
M  V30 23 1 17 24
M  V30 24 1 18 19
M  V30 25 1 18 20
M  V30 26 1 19 21
M  V30 27 1 20 22
M  V30 28 1 21 23
M  V30 29 1 22 23
M  V30 30 1 24 25
M  V30 31 2 24 26
M  V30 32 2 25 27
M  V30 33 1 26 28
M  V30 34 1 27 29
M  V30 35 2 28 29
M  V30 36 1 30 31
M  V30 37 1 30 32
M  V30 38 1 30 33
M  V30 39 1 31 34
M  V30 40 1 32 35
M  V30 41 1 33 36
M  V30 42 1 34 37
M  V30 43 1 35 37
M  V30 44 1 36 37
M  V30 45 2 39 40
M  V30 46 1 39 41
M  V30 47 1 40 42
M  V30 48 1 41 43
M  V30 49 2 41 44
M  V30 50 1 42 45
M  V30 51 2 42 46
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 6 7)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2173390-30-0

> <cas.index.name>
3-Pyridinecarboxamide, 2-amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-[4-[(1R,5S)-3-(tetrahydro-2H-pyran-4-yl)-3-azabicyclo[3.1.0]hex-1-yl]phenyl]-, (2E)-2-butenedioate (1:?)

> <molecular.formula>
C30H38N4O3.xC4H4O4

$$$$
