KEGG   DRUG: Dehydroemetine
Entry
D00828                      Drug                                   
Name
Dehydroemetine (INN);
Mebadin (TN)
Formula
C29H38N2O4
Exact mass
478.2832
Mol weight
478.623
Structure
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)
Antimicrobials [BR:br08307]
 Antiparasitics
  Agents against Amebiasis and other antiprotozoals
   Others
    D00828  Dehydroemetine (INN)
Other DBs
CAS: 4914-30-1
PubChem: 7847893
ChEBI: 149634
LigandBox: D00828
NIKKAJI: J8.784J
LinkDB
KCF data

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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