| Entry |
|
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| Name |
Ethylmorphine hydrochloride hydrate (JP18);
Ethylmorphine hydrochloride dihydrate;
Ethylmorphine hydrochloride (TN) |
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| Formula |
C19H23NO3. 2HCl. H2O
|
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| Exact mass |
403.1317
|
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| Mol weight |
404.328
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
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| Remark |
|
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| Efficacy |
Analgesic (narcotic), Antitussive, Opioid receptor agonist |
|---|
| Comment |
Opium alkaloid
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
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| Interaction |
|
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| 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
R05DA01 Ethylmorphine
D02205 Ethylmorphine hydrochloride hydrate (JP18)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01X OTHER OPHTHALMOLOGICALS
S01XA Other ophthalmologicals
S01XA06 Ethylmorphine
D02205 Ethylmorphine hydrochloride hydrate (JP18)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
DG01074 Ethylmorphine
D02205 Ethylmorphine hydrochloride hydrate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01074 Ethylmorphine
D02205 Ethylmorphine hydrochloride hydrate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D02205 Ethylmorphine hydrochloride hydrate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D02205 Ethylmorphine hydrochloride hydrate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02205
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
DG01074 Ethylmorphine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01074 Ethylmorphine
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 26
1 O0 O 24.3206 -17.1605
2 C1z C 15.5694 -16.5794
3 C8y C 15.5694 -15.2554
4 C1y C 16.7540 -17.2761
5 C1y C 14.4545 -17.2065
6 C1x C 16.7540 -15.9523
7 C8y C 14.4545 -14.6283
8 C8y C 16.7540 -14.6283
9 C1y C 17.8689 -16.5794
10 C2x C 16.7540 -18.5304
11 O2x O 13.1306 -15.8825
12 C1y C 14.4545 -18.5304
13 C1x C 18.9837 -15.9523
14 C8y C 14.4545 -13.3044
15 C1x C 17.8689 -15.3251
16 C8x C 16.7540 -13.3044
17 N1y N 18.9837 -17.2761
18 C2x C 15.5694 -19.2272
19 O1a O 13.3397 -19.2272
20 C8x C 15.6391 -12.6773
21 O2a O 13.3397 -12.6773
22 C1b C 12.1551 -13.3044
23 C1a C 20.3826 -17.2761
24 C1a C 10.9853 -12.5702
25 X Cl 24.0800 -15.1200
26 X Cl 24.0800 -15.1200
BOND 27
1 2 3 1
2 2 4 1
3 2 5 1
4 2 6 1 #Up
5 3 7 2
6 3 8 1
7 4 9 1
8 4 10 1
9 5 11 1 #Down
10 5 12 1
11 6 13 1
12 7 14 1
13 8 15 1
14 8 16 2
15 9 17 1 #Up
16 10 18 2
17 12 19 1 #Down
18 14 20 2
19 14 21 1
20 21 22 1
21 7 11 1
22 9 15 1
23 12 18 1
24 13 17 1
25 16 20 1
26 17 23 1
27 22 24 1
BRACKET 1 22.6100 -15.8900 22.6100 -14.2800
1 24.8500 -14.2800 24.8500 -15.8900
1 2
ORIGINAL 1 26
REPEAT 1 27
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