| Entry |
|
|---|
| Name |
O-Acetyldihydrocodeine hydrochloride;
Acetylcodone (TN) |
|---|
| Formula |
C20H25NO4. HCl
|
|---|
| Exact mass |
379.155
|
|---|
| Mol weight |
379.8777
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antitussive, Opioid receptor agonist |
|---|
| Comment |
Opium alkaloid
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R05 COUGH AND COLD PREPARATIONS
R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
R05DA Opium alkaloids and derivatives
R05DA12 Acetyldihydrocodeine
D07557 O-Acetyldihydrocodeine hydrochloride
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
D07557 O-Acetyldihydrocodeine hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D07557 O-Acetyldihydrocodeine hydrochloride
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 26
1 C1z C 26.3039 -18.9573
2 C8y C 26.2339 -17.6982
3 C1y C 27.3531 -19.6568
4 C1y C 25.1147 -19.6568
5 C1x C 27.4231 -18.3277
6 C8y C 25.1147 -16.9986
7 C8y C 27.4231 -16.9986
8 C1y C 28.5423 -18.9573
9 C1x C 27.3532 -20.9159
10 O2x O 23.7856 -18.2578
11 C1y C 25.1147 -20.9159
12 C1x C 29.7315 -18.3277
13 C8y C 25.1147 -15.6695
14 C1x C 28.5423 -17.6982
15 C8x C 27.4231 -15.6695
16 N1y N 29.6616 -19.6568
17 C1x C 26.2339 -21.6155
18 O7a O 23.9955 -21.6155
19 C8x C 26.2339 -15.0400
20 O2a O 23.9955 -15.0400
21 C1a C 22.8762 -15.6695
22 C1a C 31.0606 -19.6568
23 C7a C 22.7601 -20.9588
24 C1a C 21.5443 -21.7183
25 O6a O 22.7817 -19.5871
26 X Cl 35.1400 -19.8100
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 1
17 11 18 1 #Down
18 13 19 2
19 13 20 1
20 20 21 1
21 6 10 1
22 8 14 1
23 11 17 1
24 12 16 1
25 15 19 1
26 16 22 1
27 18 23 1
28 23 24 1
29 23 25 2
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