KEGG   COMPOUND: C08001Help
Entry
C08001                      Compound                               

Name
Melarsoprol
Formula
C12H15AsN6OS2
Exact mass
397.9965
Mol weight
398.3387
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01C AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
    P01CD Arsenic compounds
     P01CD01 Melarsoprol
      D00832  Melarsoprol (INN)
Antiinfectives [BR:br08307]
 Antiparasitics
  Agents against Leishmaniasis and Trypanosomiasis
   Arsenic compounds
    Melarsoprol
     D00832  Melarsoprol (INN)
BRITE hierarchy
Other DBs
CAS: 
494-79-1
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   N5x N    26.3200  -17.3600
            2   C8y C    26.3200  -18.7600
            3   N5x N    27.5100  -19.4600
            4   C8y C    28.7000  -18.7600
            5   N5x N    28.7000  -17.3600
            6   C8y C    27.5100  -16.6600
            7   N1a N    27.5100  -15.2600
            8   N1a N    25.1300  -19.4600
            9   N1b N    29.9600  -19.4600
            10  C8y C    31.1500  -18.7600
            11  C8x C    31.1500  -17.3600
            12  C8x C    32.3400  -19.4600
            13  C8x C    33.6000  -18.7600
            14  C8y C    33.6000  -17.3600
            15  C8x C    32.3400  -16.6600
            16  Z   As   34.7900  -16.6600
            17  S2x S    34.7900  -15.2600
            18  S2x S    36.2600  -17.0800
            19  C1y C    36.9600  -15.9600
            20  C1x C    36.1200  -14.8400
            21  C1b C    38.3600  -15.9600
            22  O1a O    39.0600  -17.1500
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     2   8 1
            9     4   9 1
            10   10  11 1
            11   10  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   11  15 2
            16   14  16 1
            17   16  17 1
            18   16  18 1
            19   18  19 1
            20   19  20 1
            21   17  20 1
            22   19  21 1
            23   21  22 1
            24    9  10 1

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