| Entry |
|
|---|
| Name |
Methylsamidorphan chloride (USAN/INN) |
|---|
| Formula |
C22H29N2O4. Cl
|
|---|
| Exact mass |
420.1816
|
|---|
| Mol weight |
420.9297
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Analgesic
DG01586 Opioid receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Laxative, Opioid receptor antagonist |
|---|
| Comment |
Opioid induced constipation
|
|---|
| Target |
|
|---|
| Brite |
Drug groups [BR:br08330]
Analgesic
DG01586 Opioid receptor antagonist
DG01830 Methylsamidorphan
D10648 Methylsamidorphan chloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D10648 Methylsamidorphan chloride (USAN/INN)
Drug groups [BR:br08330]
Analgesic
DG01586 Opioid receptor antagonist
DG01830 Methylsamidorphan
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 29
1 C1x C 18.2700 -18.5500
2 C5x C 18.2700 -19.8800
3 C1x C 19.4600 -20.5800
4 C1x C 20.6500 -19.8800
5 C1z C 20.6500 -18.5500
6 C1z C 19.4600 -17.9200
7 C1y C 21.7700 -17.9200
8 C1x C 21.7700 -16.5200
9 C8y C 20.6500 -15.8200
10 C8y C 19.4600 -16.5200
11 C8x C 20.6500 -14.4900
12 C8x C 19.4600 -13.8600
13 C8y C 18.2700 -14.4900
14 C8y C 18.2700 -15.8200
15 O5x O 17.0800 -20.5800
16 O1a O 21.7700 -19.1800
17 N2y N 22.9600 -18.5500 #+
18 C1x C 20.6500 -17.2200
19 C1x C 22.9600 -17.2200
20 C1b C 24.3600 -18.5500
21 C1y C 24.9200 -19.6700
22 C1x C 26.0400 -20.2300
23 C1x C 24.9200 -21.0000
24 O1a O 17.0800 -16.5200
25 C5a C 17.0800 -13.8600
26 O5a O 15.9600 -14.4900
27 N1a N 17.0800 -12.4600
28 C1a C 24.1500 -16.8000
29 X Cl 26.5300 -16.1700 #-
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 6 10 1
12 9 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 10 14 1
17 2 15 2
18 5 16 1 #Up
19 7 17 1
20 6 18 1 #Up
21 17 19 1
22 18 19 1
23 17 20 1 #Up
24 20 21 1
25 22 21 1
26 21 23 1
27 22 23 1
28 14 24 1
29 13 25 1
30 25 26 2
31 25 27 1
32 17 28 1 #Down
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