KEGG   DRUG: DehydroemetineHelp
Entry
D00828                      Drug                                   

Name
Dehydroemetine (INN);
Mebadin (TN)
Formula
C29H38N2O4
Exact mass
478.2832
Mol weight
478.623
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C07996
ATC code: P01AX09
Efficacy
Amebicide
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
    P01AX Other agents against amoebiasis and other protozoal diseases
     P01AX09 Dehydroemetine
      D00828  Dehydroemetine (INN)
BRITE hierarchy
Other DBs
CAS: 4914-30-1
PubChem: 7847893
ChEBI: 4363
ChEMBL: CHEMBL1697741
LigandBox: D00828
NIKKAJI: J8.784J
LinkDB All DBs
KCF data Show

ATOM        35
            1   C1y C    24.2802  -20.7219
            2   C8y C    24.2104  -22.1173
            3   N1x N    23.0941  -20.0242
            4   C8y C    23.0243  -22.8150
            5   C8x C    25.3965  -22.8848
            6   C1x C    21.8382  -20.6521
            7   C8x C    22.9546  -24.2104
            8   C1x C    21.8382  -22.1173
            9   C8y C    25.3965  -24.2802
            10  C8y C    24.1406  -24.9081
            11  O2a O    26.5826  -24.9779
            12  O2a O    24.1406  -26.3035
            13  C1a C    22.9546  -27.0012
            14  C1a C    18.2800  -14.1635
            15  C1a C    18.2800  -15.5589
            16  O2a O    19.4661  -16.2566
            17  C8y C    20.7219  -15.5589
            18  C8y C    20.7219  -14.1635
            19  O2a O    19.4661  -13.4658
            20  C8x C    21.9080  -16.2566
            21  C8y C    23.0941  -15.5589
            22  C8y C    23.0941  -14.1635
            23  C8x C    21.9080  -13.4658
            24  C1y C    24.2802  -16.2566
            25  N1y N    25.5360  -15.5589
            26  C1x C    25.5360  -14.1635
            27  C1x C    24.2802  -13.4658
            28  C1x C    24.2802  -17.6520
            29  C2y C    25.5360  -18.3497
            30  C2y C    26.7221  -17.6520
            31  C1x C    26.7221  -16.2566
            32  C1b C    25.5360  -19.7451
            33  C1b C    27.9082  -18.3497
            34  C1a C    29.1641  -17.6520
            35  C1a C    26.5826  -26.3779
BOND        39
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 2
            9     7  10 2
            10    9  11 1
            11   10  12 1
            12    6   8 1
            13    9  10 1
            14   12  13 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   14  19 1
            20   17  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   18  23 2
            25   21  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   22  27 1
            30   24  28 1
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   25  31 1
            35   29  32 1
            36   30  33 1
            37   33  34 1
            38    1  32 1 #Down
            39   11  35 1

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