KEGG   COMPOUND: C11734Help
Entry
C11734                      Compound                               

Name
Altanserin
Formula
C22H22FN3O2S
Exact mass
411.1417
Mol weight
411.4924
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 76330-71-7
PubChem: 13899
ChEBI: 2613
ChEMBL: CHEMBL62919
NIKKAJI: J32.855C
KCF data Show

ATOM        29
            1   C8y C    29.4164  -12.5505
            2   C8y C    29.4164  -13.9501
            3   N4x N    28.2035  -11.8508
            4   C8x C    30.6294  -11.8508
            5   C8y C    28.2035  -14.6498
            6   C8x C    30.6294  -14.6498
            7   C8y C    26.9906  -12.5505
            8   C8x C    31.8423  -12.5505
            9   N4y N    26.9906  -13.9501
            10  O5x O    28.2035  -16.0494
            11  C8x C    31.8423  -13.9501
            12  S0  S    25.7776  -11.8508
            13  C1b C    25.7776  -14.6498
            14  C1b C    24.5647  -13.9501
            15  N1y N    23.3518  -14.6498
            16  C1x C    22.1388  -13.9501
            17  C1x C    23.3518  -16.0494
            18  C1x C    20.9259  -14.6498
            19  C1x C    22.1388  -16.7491
            20  C1y C    20.9259  -16.0494
            21  C5a C    19.7140  -16.7493
            22  O5a O    18.5010  -16.0493
            23  C8y C    19.7142  -18.1487
            24  C8x C    18.5013  -18.8491
            25  C8x C    18.5015  -20.2487
            26  C8y C    19.7137  -20.9482
            27  C8x C    20.9265  -20.2478
            28  C8x C    20.9263  -18.8482
            29  X   F    19.7139  -22.3473
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 2
            12    9  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    7   9 1
            21    8  11 2
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   21  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   26  29 1

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