KEGG   COMPOUND: C16629
Entry
C16629                      Compound                               
Name
Albendazole-gamma-hydroxysulphone
Formula
C12H15N3O5S
Exact mass
313.0732
Mol weight
313.3296
Structure
Other DBs
CAS: 80983-32-0
PubChem: 51090955
ChEBI: 80623
NIKKAJI: J2.804.123C
LinkDB
KCF data

ATOM        21
            1   C8y C    18.8657  -16.2275
            2   C8y C    18.8657  -14.9003
            3   C8x C    17.7135  -16.8973
            4   C8x C    17.7135  -14.2429
            5   C8y C    16.5791  -16.2275
            6   C8x C    16.5791  -14.9003
            7   S4a S    15.4389  -16.8732
            8   C1b C    14.3047  -16.2155
            9   O3c O    15.4330  -18.1883
            10  C1b C    13.1644  -16.8672
            11  C1b C    12.0302  -16.2034
            12  O3c O    15.4389  -15.4718
            13  O1a O    10.8389  -16.8819
            14  N5x N    20.1280  -16.6377
            15  C8y C    20.9081  -15.5639
            16  N4x N    20.1280  -14.4902
            17  N1b N    22.3298  -15.5643
            18  C7a C    23.0190  -16.7587
            19  O7a O    24.4297  -16.7592
            20  O6a O    22.3338  -17.9446
            21  C1a C    25.1168  -17.9500
BOND        22
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   7 1
            7     7   8 1
            8     7   9 2
            9     8  10 1
            10   10  11 1
            11    5   6 1
            12    7  12 2
            13   11  13 1
            14    1  14 1
            15   14  15 2
            16   15  16 1
            17    2  16 1
            18   15  17 1
            19   17  18 1
            20   18  19 1
            21   18  20 2
            22   19  21 1

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