Pranlukast hydrate
C27H23N5O4.1/2H2O
150821-03-7 Copyright (C) 2024 ACS
 37 40  0  0  0  0  0  0  0  0999 V2000
    6.6685    7.7599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    8.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022   10.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    5.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    5.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6718    5.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    7.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    8.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    8.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    6.2199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    7.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673   10.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348   10.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012   10.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4215    3.0046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9134    3.0046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    7.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    8.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    7.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    5.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    5.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    7.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    6.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    8.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    7.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2 25  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
> <cas.rn>
150821-03-7

> <cas.index.name>
Benzamide, N-[4-oxo-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-(4-phenylbutoxy)-, hydrate (2:1)

> <molecular.formula>
C27H23N5O4.1/2H2O

> <molecular.weight>
490.51

$$$$
