KEGG   COMPOUND: C07996
Entry
C07996                      Compound                               
Name
Dehydroemetine
Formula
C29H38N2O4
Exact mass
478.2832
Mol weight
478.623
Structure
Remark
Same as: D00828
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: 10197
ChEBI: 149634
NIKKAJI: J8.784J
LinkDB
KCF data

ATOM        35
            1   C1y C    24.2869  -20.7295
            2   C8y C    24.2171  -22.1250
            3   N1x N    23.1006  -20.0317
            4   C8y C    23.0308  -22.8228
            5   C8x C    25.4033  -22.8926
            6   C1x C    21.8446  -20.6597
            7   C8x C    22.9611  -24.2184
            8   C1x C    21.8446  -22.1250
            9   C8y C    25.4033  -24.2882
            10  C8y C    24.1473  -24.9162
            11  O2a O    26.5896  -24.9860
            12  O2a O    24.1473  -26.3118
            13  C1a C    22.9611  -27.0096
            14  C1a C    18.2844  -14.1641
            15  C1a C    18.2844  -15.5591
            16  O2a O    19.4923  -16.2565
            17  C8y C    20.7005  -15.5591
            18  C8y C    20.7005  -14.1641
            19  O2a O    19.4923  -13.4667
            20  C8x C    21.9085  -16.2565
            21  C8y C    23.1166  -15.5591
            22  C8y C    23.1166  -14.1641
            23  C8x C    21.9085  -13.4667
            24  C1y C    24.3246  -16.2565
            25  N1y N    25.5327  -15.5591
            26  C1x C    25.5327  -14.1641
            27  C1x C    24.3246  -13.4667
            28  C1x C    24.3246  -17.6516
            29  C2y C    25.5327  -18.3491
            30  C2y C    26.7407  -17.6516
            31  C1x C    26.7407  -16.2565
            32  C1b C    25.5327  -19.7440
            33  C1b C    27.9488  -18.3491
            34  C1a C    29.1795  -17.6382
            35  C1a C    26.5896  -26.3860
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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