1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,...
C25H26N7O8P.C4H11NO3
864953-39-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  49 52 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.3449 9.6007 0.0 0
M  V30 2 O 7.2500 8.3546 0.0 0
M  V30 3 P 6.6237 6.9478 0.0 0 VAL=5
M  V30 4 O 5.9974 5.5410 0.0 0
M  V30 5 O 5.2169 7.5742 0.0 0
M  V30 6 O 8.0305 6.3215 0.0 0
M  V30 7 C 9.9723 13.6293 0.0 0
M  V30 8 C 11.3060 12.8592 0.0 0
M  V30 9 O 9.9723 15.1693 0.0 0
M  V30 10 O 11.3060 11.3192 0.0 0
M  V30 11 O 7.7863 16.0949 0.0 0
M  V30 12 C 7.3104 17.5594 0.0 0
M  V30 13 C 0.0000 9.9509 0.0 0
M  V30 14 C 16.6408 15.9393 0.0 0
M  V30 15 O 16.6408 17.4794 0.0 0
M  V30 16 C 6.2013 12.3412 0.0 0
M  V30 17 C 7.2317 13.4857 0.0 0
M  V30 18 C 4.6948 12.6614 0.0 0
M  V30 19 N 6.9713 11.0075 0.0 0
M  V30 20 C 8.6387 12.8592 0.0 0
M  V30 21 C 6.7558 14.9503 0.0 0
M  V30 22 N 4.2189 14.1261 0.0 0
M  V30 23 C 8.4776 11.3277 0.0 0
M  V30 24 C 5.2495 15.2706 0.0 0
M  V30 25 N 3.6644 11.5170 0.0 0
M  V30 26 N 2.1328 11.6779 0.0 0
M  V30 27 C 3.9845 10.0106 0.0 0
M  V30 28 C 1.5065 10.2711 0.0 0
M  V30 29 N 2.6509 9.2406 0.0 0
M  V30 30 N 12.6397 13.6293 0.0 0
M  V30 31 C 12.6397 15.1693 0.0 0
M  V30 32 C 13.9735 12.8592 0.0 0
M  V30 33 C 13.9735 15.9393 0.0 0
M  V30 34 C 15.3072 13.6293 0.0 0
M  V30 35 N 15.3072 15.1693 0.0 0
M  V30 36 C 17.9745 15.1693 0.0 0
M  V30 37 C 17.9745 13.6293 0.0 0
M  V30 38 C 19.3083 15.9393 0.0 0
M  V30 39 C 19.3083 12.8592 0.0 0
M  V30 40 C 20.6420 15.1693 0.0 0
M  V30 41 C 20.6420 13.6293 0.0 0
M  V30 42 C 10.1424 2.6673 0.0 0
M  V30 43 C 11.4760 3.4374 0.0 0
M  V30 44 C 9.3723 4.0010 0.0 0
M  V30 45 C 10.9124 1.3337 0.0 0
M  V30 46 N 8.8085 1.8973 0.0 0
M  V30 47 O 12.8097 2.6673 0.0 0
M  V30 48 O 7.8323 4.0010 0.0 0
M  V30 49 O 10.1424 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 19
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 3 5
M  V30 6 1 3 6
M  V30 7 1 7 8
M  V30 8 2 7 9
M  V30 9 1 7 20
M  V30 10 2 8 10
M  V30 11 1 8 30
M  V30 12 1 11 12
M  V30 13 1 11 21
M  V30 14 1 13 28
M  V30 15 2 14 15
M  V30 16 1 14 35
M  V30 17 1 14 36
M  V30 18 1 16 17
M  V30 19 2 16 18
M  V30 20 1 16 19
M  V30 21 1 17 20
M  V30 22 2 17 21
M  V30 23 1 18 22
M  V30 24 1 18 25
M  V30 25 1 19 23
M  V30 26 2 20 23
M  V30 27 1 21 24
M  V30 28 2 22 24
M  V30 29 1 25 26
M  V30 30 1 25 27
M  V30 31 2 26 28
M  V30 32 2 27 29
M  V30 33 1 28 29
M  V30 34 1 30 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 1 32 34
M  V30 38 1 33 35
M  V30 39 1 34 35
M  V30 40 2 36 37
M  V30 41 1 36 38
M  V30 42 1 37 39
M  V30 43 2 38 40
M  V30 44 2 39 41
M  V30 45 1 40 41
M  V30 46 1 42 43
M  V30 47 1 42 44
M  V30 48 1 42 45
M  V30 49 1 42 46
M  V30 50 1 43 47
M  V30 51 1 44 48
M  V30 52 1 45 49
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
864953-39-9

> <cas.index.name>
1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)

> <molecular.formula>
C25H26N7O8P.C4H11NO3

> <molecular.weight>
704.63

$$$$
