KEGG   DRUG: Bisoxatin acetate
Entry
D01191                      Drug                                   
Name
Bisoxatin acetate (JAN/USAN)
Formula
C24H19NO6
Exact mass
417.1212
Mol weight
417.4108
Structure
Simcomp
Remark
ATC code: A06AB09
Chemical structure group: DG00073
Efficacy
Laxative
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AB Contact laxatives
     A06AB09 Bisoxatin
      D01191  Bisoxatin acetate (JAN/USAN)
Rx-to-OTC switch list in Japan [br08314.html]
 D01191
Other DBs
CAS: 14008-48-1
PubChem: 7848254
ChEBI: 31294
LigandBox: D01191
NIKKAJI: J8.472G
KCF data

ATOM        31
            1   C8x C    21.1244  -20.8241
            2   C8x C    21.1244  -22.2246
            3   C8x C    22.3402  -22.9248
            4   C8x C    22.3402  -20.1239
            5   C8y C    23.5488  -20.8241
            6   C8y C    23.5429  -22.2246
            7   N1x N    24.7527  -22.9299
            8   C5x C    25.9685  -22.2350
            9   C1z C    25.9744  -20.8345
            10  O2x O    24.7646  -20.1290
            11  C8y C    27.3699  -20.8311
            12  O5x O    27.1783  -22.9402
            13  C8y C    25.9744  -19.4345
            14  C8x C    27.1725  -18.7431
            15  C8x C    27.1727  -17.3431
            16  C8y C    25.9604  -16.6428
            17  C8x C    24.7623  -17.3343
            18  C8x C    24.7621  -18.7343
            19  C8x C    28.0856  -22.0633
            20  C8x C    29.4856  -22.0596
            21  C8y C    30.1824  -20.8454
            22  C8x C    29.4667  -19.6132
            23  C8x C    28.0667  -19.6168
            24  O7a O    25.9608  -15.2600
            25  C7a C    27.1803  -14.5563
            26  C1a C    28.3788  -15.2488
            27  O6a O    27.1806  -13.1602
            28  O7a O    31.5699  -20.8418
            29  C7a C    32.2809  -22.0661
            30  O6a O    33.6699  -22.0623
            31  C1a C    31.5883  -23.2728
BOND        34
            1     6   7 1
            2     7   8 1
            3     8   9 1
            4     9  10 1
            5    10   5 1
            6     1   2 2
            7     9  11 1
            8     2   3 1
            9     3   6 2
            10    5   4 2
            11    4   1 1
            12    5   6 1
            13    8  12 2
            14    9  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   11  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   11  23 1
            27   16  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   21  28 1
            32   28  29 1
            33   29  30 2
            34   29  31 1

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  All links  
Ontology (2)   
   KEGG BRITE (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (7)   

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