KEGG   COMPOUND: C11239Help
Entry
C11239                      Compound                               

Name
MK 571;
Verlukast
Formula
C26H27ClN2O3S2
Exact mass
514.1152
Mol weight
515.0872
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 115104-28-4
PubChem: 13418
ChEBI: 6619
ChEMBL: CHEMBL15177
NIKKAJI: J364.035C
KCF data Show

ATOM        34
            1   C8x C    15.7551  -18.6669
            2   C8y C    15.7551  -20.0673
            3   C8x C    16.9647  -20.7711
            4   C8x C    16.9647  -17.9702
            5   X   Cl   14.5418  -20.7716
            6   C8y C    18.1743  -18.6669
            7   C8y C    18.1684  -20.0673
            8   N5x N    19.3790  -20.7762
            9   C8y C    20.5957  -20.0776
            10  C8x C    20.6018  -18.6772
            11  C8x C    19.3910  -17.9755
            12  C2b C    21.8065  -20.7865
            13  C2b C    23.0232  -20.0879
            14  C8y C    24.2340  -20.7968
            15  C8x C    24.2213  -22.1920
            16  C8x C    25.4321  -22.8939
            17  C8x C    26.6417  -22.2023
            18  C8y C    26.6477  -20.8020
            19  C8x C    25.4441  -20.0932
            20  C1c C    27.8643  -20.1035
            21  S2a S    29.0750  -20.8123
            22  C1b C    30.2917  -20.1138
            23  C1b C    31.5025  -20.8226
            24  C5a C    32.7192  -20.1241
            25  N1c N    33.9298  -20.8329
            26  C1a C    35.1465  -20.1344
            27  C1a C    33.9239  -22.2334
            28  O5a O    32.6551  -18.7236
            29  S2a S    27.8632  -18.7054
            30  C1b C    29.0668  -17.9912
            31  C1b C    29.0538  -16.5980
            32  C6a C    30.2573  -15.8839
            33  O6a O    30.2476  -14.4845
            34  O6a O    31.4765  -16.5726
BOND        36
            1     6   7 2
            2    14  15 1
            3    15  16 2
            4    16  17 1
            5    17  18 2
            6    18  19 1
            7    19  14 2
            8     7   8 1
            9    18  20 1
            10    8   9 2
            11   20  21 1
            12    9  10 1
            13   21  22 1
            14   10  11 2
            15   22  23 1
            16   11   6 1
            17   23  24 1
            18    2   5 1
            19   24  25 1
            20    9  12 1
            21   25  26 1
            22    1   2 1
            23   25  27 1
            24   12  13 2
            25   24  28 2
            26    2   3 2
            27   20  29 1
            28   13  14 1
            29   29  30 1
            30    3   7 1
            31   30  31 1
            32    6   4 1
            33   31  32 1
            34    4   1 2
            35   32  33 1
            36   32  34 2

» Japanese version

DBGET integrated database retrieval system