 | | DRUG: Metamizole | |
| Entry |
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|---|
| Name |
Metamizole;
Methamizole;
Dolemicin (TN) |
|---|
| Formula |
C13H17N3O4S
|
|---|
| Exact mass |
311.094
|
|---|
| Mol weight |
311.3568
|
|---|
| Structure |
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|---|
| Simcomp |
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|---|
| Efficacy |
Analgesic, Antipyretic |
|---|
| Other DBs |
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| KCF data |
ATOM 21
1 C8x C 18.8300 -18.8300
2 C8x C 18.8300 -20.2300
3 C8x C 20.0200 -20.8600
4 C8x C 21.2800 -20.2300
5 C8y C 21.2800 -18.8300
6 C8x C 20.0200 -18.1300
7 N4y N 22.4700 -18.1300
8 N4y N 22.4700 -16.7300
9 C1a C 21.2800 -16.0300
10 C8y C 23.8000 -18.5500
11 C8y C 24.6400 -17.4300
12 C8y C 23.8000 -16.3100
13 N1c N 26.0400 -17.4300
14 O5x O 24.2200 -19.8800
15 C1a C 24.2200 -14.9800
16 C1a C 26.6700 -16.0300
17 C1b C 26.7400 -18.6200
18 S4a S 28.0700 -18.6200
19 O1d O 29.4700 -18.6200
20 O1d O 28.0700 -17.2200
21 O1d O 28.0700 -20.0200
BOND 22
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 5 7 1
8 7 8 1
9 8 9 1
10 7 10 1
11 10 11 1
12 11 12 2
13 8 12 1
14 11 13 1
15 10 14 2
16 12 15 1
17 13 16 1
18 13 17 1
19 17 18 1
20 18 19 1
21 18 20 2
22 18 21 2
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