KEGG   DRUG: PirolateHelp
Entry
D05508                      Drug                                   

Name
Pirolate (USAN/INN)
Formula
C16H15N3O5
Exact mass
329.1012
Mol weight
329.3074
Structure
Mol fileKCF fileDB search
Efficacy
Antiasthmatic
Comment
leukotriene biosynthesis inhibitor
Other DBs
CAS: 55149-05-8
PubChem: 47207177
ChEMBL: CHEMBL88691
LigandBox: D05508
NIKKAJI: J11.457J
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    14.5600  -18.0600
            2   C8y C    14.5600  -19.4600
            3   C8x C    15.7724  -20.1600
            4   C8y C    16.9849  -19.4600
            5   C8y C    16.9849  -18.0600
            6   C8x C    15.7724  -17.3600
            7   N5x N    18.1973  -20.1600
            8   C8y C    19.4097  -19.4600
            9   C8y C    19.4097  -18.0600
            10  C8x C    18.1973  -17.3600
            11  N4x N    20.6222  -20.1600
            12  C8y C    21.8346  -19.4600
            13  N5x N    21.8346  -18.0600
            14  C8y C    20.6222  -17.3600
            15  O5x O    20.6222  -15.9603
            16  O2a O    13.3476  -17.3600
            17  C1a C    12.1521  -18.0504
            18  O2a O    13.3476  -20.1600
            19  C1a C    12.1521  -19.4696
            20  C7a C    23.0511  -20.1623
            21  O7a O    24.2486  -19.4708
            22  O6a O    23.0511  -21.5598
            23  C1b C    25.4349  -20.1557
            24  C1a C    26.6267  -19.4674
BOND        26
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 1
            17   14  15 2
            18    1  16 1
            19   16  17 1
            20    2  18 1
            21   18  19 1
            22   12  20 1
            23   20  21 1
            24   20  22 2
            25   21  23 1
            26   23  24 1

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