KEGG   DRUG: Sodium stibogluconateHelp
Entry
D00582                      Drug                                   

Name
Sodium stibogluconate (INN);
Pentostam (TN)
Formula
C12H20O17Sb2. 9H2O. 3Na
Exact mass
908.9421
Mol weight
910.9038
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C07638
ATC code: P01CB02
Efficacy
Antiprotozoal
Comment
Antimony compound
Treatment of leishmaniasis
Target
protein tyrosine phosphatase [KO:K05697]
  Pathway
ko05140  Leishmaniasis
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01C AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
    P01CB Antimony compounds
     P01CB02 Sodium stibogluconate
      D00582  Sodium stibogluconate (INN)
BRITE hierarchy
Other DBs
CAS: 16037-91-5
PubChem: 7847648
ChEBI: 28148
LinkDB All DBs
KCF data Show

ATOM        43
            1   C1y C    17.7800  -19.8100
            2   C1y C    17.7800  -21.2100
            3   O2x O    18.9700  -21.9100
            4   Z   Sb   20.2300  -21.2100
            5   O2x O    20.2300  -19.8100
            6   C1y C    18.9700  -19.1100
            7   C6a C    18.9700  -17.7100
            8   O1a O    16.5900  -19.1100
            9   C1c C    16.5900  -21.9100
            10  C1b C    15.4000  -21.2100
            11  O1a O    14.2100  -21.9100
            12  O1a O    16.5900  -23.3100
            13  O2a O    21.8400  -21.9100
            14  Z   Sb   23.1700  -21.2100
            15  O2x O    24.3600  -21.9100
            16  C1y C    25.6200  -21.2100
            17  C1y C    25.6200  -19.8100
            18  C1y C    24.4300  -19.1100
            19  O2x O    23.1700  -19.8100
            20  C1c C    26.8100  -21.9100
            21  C1b C    28.0000  -21.2100
            22  O1a O    29.1900  -21.9100
            23  O1a O    26.8100  -23.3100
            24  O1a O    26.8100  -19.1100
            25  C6a C    24.4300  -17.7100
            26  O6a O    23.2400  -17.0100
            27  O6a O    25.6200  -17.0100
            28  O6a O    17.7800  -17.0100
            29  O6a O    20.1600  -17.0100
            30  O0  O    20.2300  -22.6100
            31  O0  O    23.1700  -22.6100
            32  Z   Na   32.7600  -16.9400
            33  Z   Na   32.7600  -18.2700
            34  Z   Na   32.7600  -19.6700
            35  O0  O    34.3000  -22.4000
            36  O0  O    34.3000  -22.4000
            37  O0  O    34.3000  -22.4000
            38  O0  O    34.3000  -22.4000
            39  O0  O    34.3000  -22.4000
            40  O0  O    34.3000  -22.4000
            41  O0  O    34.3000  -22.4000
            42  O0  O    34.3000  -22.4000
            43  O0  O    34.3000  -22.4000
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Down
            8     1   8 1 #Down
            9     2   9 1
            10    9  10 1
            11   10  11 1
            12    9  12 1 #Down
            13    4  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   14  19 1
            21   16  20 1
            22   20  21 1
            23   21  22 1
            24   20  23 1 #Up
            25   17  24 1 #Up
            26   18  25 1 #Up
            27   25  26 2
            28   25  27 1
            29    7  28 1
            30    7  29 2
            31    4  30 2
            32   14  31 2
BRACKET     1    32.2000  -23.3100   32.2000  -21.5600
            1    35.2800  -21.5600   35.2800  -23.3100
            1  9
 ORIGINAL  1   37
 REPEAT    1   38  39  40  41  42  43  44  45

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