| Entry |
|
|---|
| Name |
Diacetylmorphine hydrochloride;
Diamorphine hydrochloride;
Heroin hydrochloride;
Diamorphine (TN) |
|---|
| Formula |
C21H23NO5. HCl
|
|---|
| Exact mass |
405.1343
|
|---|
| Mol weight |
405.87
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
Analgesic
DG01984 Opioid analgesics
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic, Antitussive, Opioid receptor agonist |
|---|
| Comment |
Opioid
Active form of prodrug: Morphine [DR: D08233]
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07224 | Opioid receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N07 OTHER NERVOUS SYSTEM DRUGS
N07B DRUGS USED IN ADDICTIVE DISORDERS
N07BC Drugs used in opioid dependence
N07BC06 Diamorphine
D07810 Diacetylmorphine hydrochloride
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
DG01003 Diamorphine
D07810 Diacetylmorphine hydrochloride
Analgesic
DG01984 Opioid analgesics
DG01003 Diamorphine
D07810 Diacetylmorphine hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D07810 Diacetylmorphine hydrochloride
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
DG01003 Diamorphine
Analgesic
DG01984 Opioid analgesics
DG01003 Diamorphine
Prodrugs [br08324.html]
DG01003
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1z C 16.6347 -16.8344
2 C8y C 16.6347 -15.5020
3 C1y C 15.4425 -17.5357
4 C1y C 17.7568 -17.5357
5 C1x C 17.7568 -16.2033
6 C8y C 15.4425 -14.8708
7 C8y C 17.7568 -14.8708
8 O2x O 14.3905 -16.1331
9 C1y C 15.4425 -18.8682
10 C1y C 18.9490 -16.9046
11 C2x C 17.7568 -18.8682
12 C1x C 20.0711 -16.2033
13 C8y C 15.4425 -13.4682
14 C1x C 18.9490 -15.5020
15 C8x C 17.7568 -13.4682
16 C2x C 16.5646 -19.5695
17 O7a O 14.2503 -19.5695
18 N1y N 20.1412 -17.5357
19 C8x C 16.6347 -12.8370
20 O7a O 14.2503 -12.8370
21 C7a C 13.0581 -18.8682
22 C7a C 13.1282 -13.4682
23 C1a C 11.9360 -19.4994
24 O6a O 13.0581 -17.5357
25 C1a C 11.9360 -12.8370
26 O6a O 13.1282 -14.8708
27 C1a C 21.5412 -17.5357
28 X Cl 25.2607 -18.9383
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 2
7 3 8 1 #Down
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 7 15 1
15 9 16 1
16 9 17 1 #Down
17 10 18 1 #Up
18 13 19 1
19 13 20 1
20 17 21 1
21 20 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 22 26 2
26 6 8 1
27 10 14 1
28 11 16 2
29 12 18 1
30 15 19 2
31 18 27 1
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