KEGG   DRUG: Oxeladin citrateHelp
Entry
D01576                      Drug                                   

Name
Oxeladin citrate (JAN)
Formula
C20H33NO3. C6H8O7
Exact mass
527.273
Mol weight
527.6044
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: R05DB09
Chemical structure group: DG01086
Efficacy
Antitussive
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DB Other cough suppressants
     R05DB09 Oxeladin
      D01576  Oxeladin citrate (JAN)
BRITE hierarchy
Other DBs
CAS: 52432-72-1
PubChem: 7848639
ChEBI: 31945
ChEMBL: CHEMBL2354637
LigandBox: D01576
NIKKAJI: J299.477A
LinkDB All DBs
KCF data Show

ATOM        37
            1   C8y C    22.2966  -16.8952
            2   C1d C    23.5078  -17.5893
            3   C7a C    24.7190  -16.8881
            4   O7a O    25.9302  -17.5822
            5   C1b C    27.1414  -16.8810
            6   C1b C    28.3526  -17.5752
            7   O2a O    29.5638  -16.8740
            8   C1b C    30.7750  -17.5681
            9   C1b C    31.9862  -16.8669
            10  N1c N    33.1974  -17.5609
            11  C1b C    34.4086  -16.8597
            12  O6a O    24.7159  -15.4857
            13  C1b C    24.7190  -18.2906
            14  C1b C    22.2896  -18.2834
            15  C1a C    22.2816  -19.6859
            16  C1a C    24.7173  -19.6930
            17  C8x C    22.3622  -15.4993
            18  C8x C    21.0810  -14.8050
            19  C8x C    19.8742  -15.5069
            20  C8x C    19.8788  -16.9029
            21  C8x C    21.0900  -17.5970
            22  C1a C    35.6241  -17.5596
            23  C1b C    33.2005  -18.9634
            24  C1a C    34.4166  -19.6621
            25  C1d C    42.5849  -16.9743
            26  C1b C    41.3715  -17.6718
            27  C1b C    43.7983  -17.6658
            28  C6a C    43.2766  -15.7549
            29  O1a O    41.8755  -15.7549
            30  C6a C    40.1639  -16.9801
            31  C6a C    43.7866  -19.0669
            32  O6a O    42.5672  -14.5357
            33  O6a O    44.6835  -15.7549
            34  O6a O    38.9506  -17.6835
            35  O6a O    40.1521  -15.5792
            36  O6a O    45.0000  -19.7703
            37  O6a O    42.5672  -19.7644
BOND        36
            1     9  10 1
            2     1  17 2
            3    17  18 1
            4    18  19 2
            5    19  20 1
            6    20  21 2
            7    21   1 1
            8     4   5 1
            9    11  22 1
            10   10  11 1
            11   10  23 1
            12   23  24 1
            13    3  12 2
            14    5   6 1
            15    2  13 1
            16    2   3 1
            17    2  14 1
            18    6   7 1
            19   14  15 1
            20   13  16 1
            21    7   8 1
            22    3   4 1
            23    8   9 1
            24    1   2 1
            25   25  26 1
            26   25  27 1
            27   25  28 1
            28   25  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   28  33 2
            33   30  34 1
            34   30  35 2
            35   31  36 1
            36   31  37 2

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