Entry |
|
Name |
Sodium stibogluconate (INN); Pentostam (TN) |
Formula |
C12H20O17Sb2. 9H2O. 3Na
|
Exact mass |
908.9421
|
Mol weight |
910.9038
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Antiprotozoal |
Comment |
Antimony compound
Treatment of leishmaniasis
|
Target |
protein tyrosine phosphatase [KO: K05697] |
Pathway |
|
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)
Antimicrobials [BR:br08307]
Antiparasitics
Agents against Leishmaniasis and Trypanosomiasis
Antimony compounds
D00582 Sodium stibogluconate (INN)
|
Other DBs |
|
KCF data |
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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