| Entry |
|
|---|
| Name |
Diamorphine (BAN);
Heroin;
Diacetylmorphine |
|---|
| Formula |
C21H23NO5
|
|---|
| Exact mass |
369.1576
|
|---|
| Mol weight |
369.41
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
Analgesic
DG01984 Opioid analgesics
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic, Opioid receptor agonist |
|---|
| Comment |
semi-synthetic opioids
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
D07286 Diamorphine (BAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01563 mu-Opioid receptor agonist
DG01003 Diamorphine
D07286 Diamorphine
Analgesic
DG01984 Opioid analgesics
DG01003 Diamorphine
D07286 Diamorphine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D07286 Diamorphine (BAN)
Prodrugs [br08324.html]
D07286
Narcotics and psychotropics in Japan [br08308.html]
Narcotics by Control Act Article 2 Table 1 (74 substances)
D07286
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 |
|
|---|
| KCF data |
ATOM 27
1 C1z C 18.5706 -16.7942
2 C8y C 18.5706 -15.4597
3 C1y C 17.3766 -17.4966
4 C1y C 19.6944 -17.4966
5 C1x C 19.6944 -16.1621
6 C8y C 17.3766 -14.8276
7 C8y C 19.6944 -14.8276
8 O2x O 16.3231 -16.0918
9 C1y C 17.3766 -18.8310
10 C1y C 20.8884 -16.8644
11 C2x C 19.6944 -18.8310
12 C1x C 22.0122 -16.1621
13 C8y C 17.3766 -13.4229
14 C1x C 20.8884 -15.4597
15 C8x C 19.6944 -13.4229
16 C2x C 18.5004 -19.5334
17 O7a O 16.1826 -19.5334
18 N1y N 22.0824 -17.4966
19 C8x C 18.5706 -12.7907
20 O7a O 16.1826 -12.7907
21 C7a C 14.9886 -18.8310
22 C7a C 15.0588 -13.4229
23 C1a C 13.8648 -19.4632
24 O6a O 14.9886 -17.4966
25 C1a C 13.8648 -12.7907
26 O6a O 15.0588 -14.8276
27 C1a C 23.4824 -17.4966
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
|
|---|
