| Entry |
|
|---|
| Name |
Dexisometheptene mucate (USAN) |
|---|
| Formula |
(C9H19N)2. C6H10O8
|
|---|
| Exact mass |
492.3411
|
|---|
| Mol weight |
492.6465
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antimigraine, Vasoconstrictor |
|---|
| Comment |
Treatment of episodic tension-type headache; migraine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C1a C 14.6303 -8.6807
2 C2c C 15.8428 -7.9807
3 C2b C 17.0553 -8.6807
4 C1b C 18.2678 -7.9807
5 C1b C 19.4802 -8.6807
6 C1c C 20.6928 -7.9807
7 N1b N 21.9053 -8.6807
8 C1a C 23.1177 -7.9807
9 C1a C 15.8428 -6.5808
10 C1a C 20.6928 -6.5809
11 C6a C 29.6100 -7.8400
12 C1c C 30.8224 -8.5400
13 O6a O 28.3976 -8.5400
14 C1c C 32.0179 -7.8496
15 C1c C 33.2053 -8.5351
16 C1c C 34.3965 -7.8471
17 C6a C 35.5860 -8.5338
18 O6a O 36.7761 -7.8465
19 O6a O 29.6100 -6.4400
20 O6a O 35.5862 -9.9398
21 O1a O 34.3965 -6.4403
22 O1a O 33.2055 -9.9398
23 O1a O 32.0180 -6.4403
24 O1a O 30.8225 -9.9398
25 C1a C 14.6303 -8.6807
26 C2c C 15.8428 -7.9807
27 C2b C 17.0553 -8.6807
28 C1b C 18.2678 -7.9807
29 C1b C 19.4802 -8.6807
30 C1c C 20.6928 -7.9807
31 N1b N 21.9053 -8.6807
32 C1a C 23.1177 -7.9807
33 C1a C 20.6928 -6.5809
34 C1a C 15.8428 -6.5808
BOND 31
1 11 12 1
2 11 13 1
3 12 14 1
4 14 15 1
5 15 16 1
6 16 17 1
7 17 18 1
8 11 19 2
9 17 20 2
10 16 21 1 #Down
11 15 22 1 #Down
12 14 23 1 #Up
13 12 24 1 #Up
14 1 2 1
15 2 3 2
16 3 4 1
17 4 5 1
18 5 6 1
19 6 7 1
20 7 8 1
21 2 9 1
22 6 10 1 #Up
23 25 26 1
24 26 27 2
25 27 28 1
26 28 29 1
27 29 30 1
28 30 31 1
29 31 32 1
30 26 34 1
31 30 33 1 #Up
BRACKET 1 12.7400 -10.7100 12.7400 -4.9700
1 24.9900 -4.9700 24.9900 -10.7100
1 2
ORIGINAL 1 1 2 3 4 5 6 7 8 10 9
REPEAT 1 25 26 27 28 29 30 31 32 33 34
|
|---|
