KEGG   DRUG: PemirolastHelp
Entry
D07476                      Drug                                   

Name
Pemirolast (INN);
Pemirox (TN)
Formula
C10H8N6O
Exact mass
228.076
Mol weight
228.2101
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG02929
Product (DG02929): D01088<JP>
Efficacy
Antiallergic, Mediator release inhibitor
Other DBs
CAS: 69372-19-6
PubChem: 96024435
ChEMBL: CHEMBL1201198
DrugBank: DB00885
LigandBox: D07476
NIKKAJI: J227.675E
LinkDB All DBs
KCF data Show

ATOM        17
            1   N5x N    27.9300  -20.6500
            2   N5x N    28.3500  -19.3200
            3   N4x N    27.2300  -18.4800
            4   C8y C    26.0400  -19.3200
            5   N5x N    26.5300  -20.6500
            6   C8y C    24.8500  -18.6200
            7   C8x C    20.0200  -17.2200
            8   C8x C    20.0200  -18.6200
            9   C8x C    21.2100  -19.3200
            10  C8y C    21.2100  -16.5200
            11  C8y C    22.4700  -17.2200
            12  N4y N    22.4700  -18.6200
            13  C8y C    23.6600  -19.3200
            14  C8x C    24.8500  -17.2200
            15  N5x N    23.6600  -16.5200
            16  O5x O    23.6600  -20.7200
            17  C1a C    21.2100  -15.1200
BOND        19
            1     9  12 1
            2    11  10 1
            3    10   7 2
            4     5   1 1
            5     1   2 2
            6     2   3 1
            7     3   4 1
            8    11  12 1
            9    12  13 1
            10   13   6 1
            11    6  14 2
            12   14  15 1
            13   15  11 2
            14    6   4 1
            15    4   5 2
            16    7   8 1
            17   13  16 2
            18    8   9 2
            19   10  17 1

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