KEGG   DRUG: Tiacrilast
Entry
D06123                      Drug                                   
Name
Tiacrilast (USAN/INN)
Formula
C12H10N2O3S
Exact mass
262.0412
Mol weight
262.29
Structure
Simcomp
Remark
Chemical structure group: DG02905
Efficacy
Antiallergic
Other DBs
CAS: 78299-53-3
PubChem: 47207781
LigandBox: D06123
NIKKAJI: J22.781A
LinkDB
KCF data

ATOM        18
            1   C8x C     8.3300  -18.6200
            2   C8y C     8.3300  -17.2200
            3   C8x C     9.5200  -16.5200
            4   C8y C    10.7800  -17.2200
            5   C8y C    10.7800  -18.6200
            6   C8x C     9.5200  -19.3200
            7   C8y C    11.9700  -16.5200
            8   N4y N    13.1600  -17.2200
            9   C8x C    13.1600  -18.6200
            10  N5x N    11.9700  -19.3200
            11  C2b C    14.3753  -16.5249
            12  O5x O    11.9700  -15.1200
            13  C2b C    15.5637  -17.2177
            14  C6a C    16.7601  -16.5335
            15  O6a O    17.9413  -17.2219
            16  O6a O    16.6962  -15.1205
            17  S2a S     7.1147  -16.5249
            18  C1a C     5.9263  -17.2177
BOND        19
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13    7  12 2
            14   11  13 2
            15   13  14 1
            16   14  15 1
            17   14  16 2
            18    2  17 1
            19   17  18 1

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