| Entry |
|
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| Name |
Drotaverine hydrochloride;
Taverin (TN) |
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| Formula |
C24H31NO4. HCl
|
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| Exact mass |
433.2020
|
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| Mol weight |
433.97
|
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| Structure |
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| Simcomp |
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| Remark |
|
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| Efficacy |
Antispasmodic, Phosphodiesterase IV inhibitor |
|---|
| Comment |
Papaverine derivative
|
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| Target |
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| Pathway |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03AD Papaverine and derivatives
A03AD02 Drotaverine
D07879 Drotaverine hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE4
D07879 Drotaverine hydrochloride
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 30
1 X Cl 21.4048 -14.6899
2 C8y C 13.0900 -14.2100
3 C8y C 13.0900 -15.6100
4 C2y C 14.3500 -16.3100
5 N1x N 15.5400 -15.6100
6 C1x C 15.5400 -14.2100
7 C1x C 14.3500 -13.5100
8 C8x C 11.9000 -13.5100
9 C8y C 10.7100 -14.2100
10 C8y C 10.7100 -15.6100
11 C8x C 11.9000 -16.3100
12 O2a O 9.4500 -13.4400
13 C1b C 8.2600 -14.1400
14 O2a O 9.4500 -16.3100
15 C1b C 8.2600 -15.6100
16 C2b C 14.3500 -17.7100
17 C8y C 15.5400 -18.4100
18 C8x C 15.5400 -19.8100
19 C8x C 16.7300 -20.5100
20 C8y C 17.9900 -19.8100
21 C8y C 17.9900 -18.4100
22 C8x C 16.7300 -17.7100
23 O2a O 19.1800 -17.7100
24 C1b C 20.3700 -18.4100
25 C1a C 21.5600 -17.7100
26 O2a O 19.1800 -20.5100
27 C1b C 20.3700 -19.8100
28 C1a C 21.5600 -20.5100
29 C1a C 7.0700 -16.3100
30 C1a C 7.0000 -13.4400
BOND 31
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 7 1
6 2 7 1
7 2 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 3 11 2
12 9 12 1
13 12 13 1
14 10 14 1
15 14 15 1
16 4 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 17 22 1
24 21 23 1
25 23 24 1
26 24 25 1
27 20 26 1
28 26 27 1
29 27 28 1
30 15 29 1
31 13 30 1
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