KEGG   COMPOUND: C01619Help
Entry
C01619                      Compound                               

Name
Thiorphan
Formula
C12H15NO3S
Exact mass
253.0773
Mol weight
253.3174
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 76721-89-6
PubChem: 4771
ChEBI: 9568
ChEMBL: CHEMBL10247
NIKKAJI: J246.911A
KCF data Show

ATOM        17
            1   C8x C    12.6000  -19.1100
            2   C8x C    12.6000  -20.5100
            3   C8x C    13.8124  -21.2100
            4   C8x C    15.0249  -20.5100
            5   C8y C    15.0249  -19.1100
            6   C8x C    13.8124  -18.4100
            7   C1b C    16.2624  -18.4100
            8   C1c C    17.4749  -19.1100
            9   C5a C    18.6873  -18.4100
            10  N1b N    19.8997  -19.1100
            11  C1b C    21.1122  -18.4100
            12  C6a C    22.3246  -19.1100
            13  O6a O    23.5370  -18.4100
            14  C1b C    17.4749  -20.5098
            15  S1a S    18.7061  -21.2208
            16  O5a O    18.6873  -17.0100
            17  O6a O    22.3246  -20.5100
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  14 1
            15   14  15 1
            16    9  16 2
            17   12  17 2

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