| Entry |
|
|---|
| Name |
Moxaverine (INN) |
|---|
| Formula |
C20H21NO2
|
|---|
| Exact mass |
307.1572
|
|---|
| Mol weight |
307.3862
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antispasmodic |
|---|
| Comment |
Papaverine derivative
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| 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
A03AD30 Moxaverine
D07089 Moxaverine (INN)
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE
D07089 Moxaverine (INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 C8y C 21.0700 -13.3700
2 N5x N 21.0700 -14.7700
3 C8y C 19.8800 -15.4700
4 C8y C 18.6200 -14.7700
5 C8y C 18.6200 -13.3700
6 C8x C 19.8800 -12.6700
7 C8x C 17.4300 -15.4700
8 C8y C 16.2400 -14.7700
9 C8y C 16.2400 -13.3700
10 C8x C 17.4300 -12.6700
11 C1b C 22.3300 -12.6700
12 C1a C 23.5200 -13.3700
13 O2a O 15.0500 -12.6700
14 C1a C 13.7900 -13.3700
15 O2a O 15.0500 -15.4700
16 C1a C 13.7900 -14.7700
17 C1b C 19.8800 -16.8700
18 C8y C 21.0700 -17.5700
19 C8x C 22.3300 -16.8700
20 C8x C 23.5200 -17.5700
21 C8x C 23.5200 -18.9700
22 C8x C 22.3300 -19.6700
23 C8x C 21.0700 -18.9700
BOND 25
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 1 11 1
13 11 12 1
14 9 13 1
15 13 14 1
16 8 15 1
17 15 16 1
18 3 17 1
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
|
|---|
