| Entry |
|
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| Name |
Dihydrocodeine thiocyanate;
Paracodin (TN) |
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| Formula |
C18H23NO3. CHNS
|
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| Exact mass |
360.1508
|
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| Mol weight |
360.4705
|
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| Structure |
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| Simcomp |
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| Class |
|
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| Remark |
| Product (DG00814): | D01481<JP> |
|
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| Efficacy |
Analgesic (narcotic), Antitussive, Opioid receptor agonist |
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| Comment |
Opioid alkaloid
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Metabolism |
Enzyme: UGT2B7 [HSA: 7364], UGT2B4 [HSA: 7363]; CYP3A4 [HSA: 1576], CYP2D6 [HSA: 1565]
|
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| Interaction |
|
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| Structure map |
| map07224 | Opioid receptor agonists/antagonists |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02A OPIOIDS
N02AA Natural opium alkaloids
N02AA08 Dihydrocodeine
D07832 Dihydrocodeine thiocyanate
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
DG00814 Dihydrocodeine
D07832 Dihydrocodeine thiocyanate
Analgesic
DG01984 Opioid analgesics
DG00814 Dihydrocodeine
D07832 Dihydrocodeine thiocyanate
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00814 Dihydrocodeine
D07832 Dihydrocodeine thiocyanate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00814 Dihydrocodeine
D07832 Dihydrocodeine thiocyanate
DG02924 UGT substrate
DG03189 UGT2B4 substrate
DG00814 Dihydrocodeine
D07832 Dihydrocodeine thiocyanate
DG03190 UGT2B7 substrate
DG00814 Dihydrocodeine
D07832 Dihydrocodeine thiocyanate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D07832 Dihydrocodeine thiocyanate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07832
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
DG00814 Dihydrocodeine
Analgesic
DG01984 Opioid analgesics
DG00814 Dihydrocodeine
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00814 Dihydrocodeine
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00814 Dihydrocodeine
DG02924 UGT substrate
DG03189 UGT2B4 substrate
DG00814 Dihydrocodeine
DG03190 UGT2B7 substrate
DG00814 Dihydrocodeine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 25
1 C1z C 20.6500 -18.9700
2 C8y C 20.6500 -17.7100
3 C1y C 21.7700 -19.6700
4 C1y C 19.5300 -19.6700
5 C1x C 21.5600 -18.0600
6 C8y C 19.5300 -17.0800
7 C8y C 21.7700 -17.0800
8 C1y C 22.8900 -19.0400
9 C1x C 21.7700 -20.9300
10 O2x O 18.2700 -18.3400
11 C1y C 19.5300 -20.9300
12 C1x C 24.0100 -18.0600
13 C8y C 19.5300 -15.7500
14 C1x C 22.8900 -17.7100
15 C8x C 21.7700 -15.7500
16 N1y N 24.0100 -19.6700
17 C1x C 20.6500 -21.6300
18 C8x C 20.6500 -15.1200
19 O2a O 18.4100 -15.1200
20 O1a O 18.4100 -21.6300
21 C1a C 17.2900 -15.8200
22 C1a C 25.4100 -19.6700
23 S1a S 31.0100 -18.3400
24 C3b C 29.6100 -18.3400
25 N3a N 28.1400 -18.3400
BOND 28
1 4 10 1 #Down
2 4 11 1
3 5 12 1
4 6 13 2
5 7 14 1
6 7 15 1
7 8 16 1 #Up
8 9 17 1
9 13 18 1
10 13 19 1
11 6 10 1
12 8 14 1
13 11 17 1
14 12 16 1
15 15 18 2
16 11 20 1 #Down
17 1 2 1
18 1 3 1
19 1 4 1
20 1 5 1 #Up
21 2 6 1
22 2 7 2
23 3 8 1
24 3 9 1
25 19 21 1
26 16 22 1
27 23 24 1
28 24 25 3
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