KEGG   DRUG: Emetine hydrochloride
Entry
D03985                      Drug                                   
Name
Emetine hydrochloride (USP)
Formula
C29H40N2O4. 2HCl
Exact mass
552.2522
Mol weight
553.56
Structure
Simcomp
Remark
ATC code: P01AX02
Chemical structure group: DG01011
Efficacy
Antiprotozoal, Emetic
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
     P01AX02 Emetine
      D03985  Emetine hydrochloride (USP)
Antimicrobials [BR:br08307]
 Antiparasitics
  Agents against Amebiasis and other antiprotozoals
   Others
    D03985  Emetine hydrochloride (USP)
Other DBs
CAS: 316-42-7
PubChem: 47205968
ChEBI: 149551
LigandBox: D03985
NIKKAJI: J257.270B
LinkDB
KCF data

ATOM        37
            1   X   Cl   25.5631  -34.5642
            2   C1y C    18.4100  -27.1600
            3   C8y C    17.2200  -26.4600
            4   N1y N    19.6700  -26.4600
            5   C1x C    18.4100  -28.5600
            6   C8y C    17.2200  -25.0600
            7   C8x C    16.0300  -27.1600
            8   C1x C    20.8600  -27.1600
            9   C1x C    19.6700  -25.0600
            10  C1y C    19.6000  -29.2600
            11  C8x C    16.0300  -24.3600
            12  C1x C    18.4100  -24.3600
            13  C8y C    14.7700  -26.4600
            14  C1y C    20.7900  -28.5600
            15  C8y C    14.7700  -25.0600
            16  O2a O    13.5800  -27.1600
            17  C1b C    22.0500  -29.2600
            18  O2a O    13.5800  -24.3600
            19  C1a C    12.3900  -26.4600
            20  C1a C    23.2400  -28.5600
            21  C1a C    12.3900  -25.0600
            22  C1b C    19.6000  -30.6600
            23  C1y C    18.4100  -31.3600
            24  C8y C    18.3400  -32.7600
            25  N1x N    17.2200  -30.6600
            26  C8y C    17.1500  -33.4600
            27  C8x C    19.5300  -33.4600
            28  C1x C    15.9600  -31.2900
            29  C8x C    17.0800  -34.8600
            30  C1x C    15.9600  -32.6900
            31  C8y C    19.5300  -34.8600
            32  C8y C    18.2700  -35.5600
            33  O2a O    20.7200  -35.6300
            34  O2a O    18.2700  -36.9600
            35  C1a C    17.0800  -37.6600
            36  C1a C    20.7200  -37.0300
            37  X   Cl   25.5631  -34.5642
BOND        39
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     3   6 2
            5     3   7 1
            6     4   8 1
            7     4   9 1
            8     5  10 1
            9     6  11 1
            10    6  12 1
            11    7  13 2
            12    8  14 1
            13   11  15 2
            14   13  16 1
            15   14  17 1 #Down
            16   15  18 1
            17   16  19 1
            18   17  20 1
            19   18  21 1
            20    9  12 1
            21   10  14 1
            22   13  15 1
            23   22  23 1
            24   23  24 1
            25   23  25 1
            26   24  26 2
            27   24  27 1
            28   25  28 1
            29   26  29 1
            30   26  30 1
            31   27  31 2
            32   29  32 2
            33   31  33 1
            34   32  34 1
            35   28  30 1
            36   31  32 1
            37   34  35 1
            38   10  22 1 #Up
            39   33  36 1
BRACKET     1    23.9400  -35.3500   23.9400  -33.6000
            1    26.6000  -33.6000   26.6000  -35.3500
            1  2
 ORIGINAL  1    1
 REPEAT    1   39

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