| Entry |
|
|---|
| Name |
Pentazocine lactate (USP);
Talwin (TN) |
|---|
| Formula |
C19H27NO. C3H6O3
|
|---|
| Exact mass |
375.241
|
|---|
| Mol weight |
375.5017
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01564 Opioid receptor agonist
Analgesic
DG01984 Opioid analgesics
|
|---|
| Remark |
| Product (DG00819): | D00498<JP> D02227<JP> |
|
|---|
| Efficacy |
Analgesic, Opioid receptor agonist/antagonist |
|---|
| Comment |
Benzomorphan derivative
|
|---|
| 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
N02 ANALGESICS
N02A OPIOIDS
N02AD Benzomorphan derivatives
N02AD01 Pentazocine
D02111 Pentazocine lactate (USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG00819 Pentazocine
D02111 Pentazocine lactate
Analgesic
DG01984 Opioid analgesics
DG00819 Pentazocine
D02111 Pentazocine lactate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D02111 Pentazocine lactate (USP)
OPRK1
D02111 Pentazocine lactate (USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG00819 Pentazocine
Analgesic
DG01984 Opioid analgesics
DG00819 Pentazocine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 O1a O 36.9967 -17.3156
2 C1c C 38.2132 -18.0180
3 C6a C 39.4297 -17.3156
4 O6a O 40.6462 -18.0180
5 C1a C 38.2132 -19.4227
6 O6a O 39.4297 -15.9109
7 C1z C 27.3967 -19.1883
8 C8y C 27.3967 -17.8418
9 C1y C 28.6015 -19.8969
10 C1a C 26.2628 -19.8261
11 C1x C 28.6015 -18.5505
12 C8x C 26.2628 -17.2040
13 C8y C 28.6015 -17.2040
14 C1y C 29.7354 -19.1883
15 C1x C 30.8692 -18.5505
16 C8y C 26.2628 -15.8575
17 C1x C 29.7354 -17.9126
18 C8x C 28.6015 -15.8575
19 N1y N 30.8692 -19.8969
20 C8x C 27.4676 -15.2197
21 O1a O 25.1289 -15.2197
22 C1b C 32.2919 -19.8969
23 C2b C 33.0069 -21.1349
24 C1a C 28.6213 -21.3455
25 C2c C 34.4244 -21.1348
26 C1a C 35.1357 -22.3668
27 C1a C 35.1378 -19.8989
BOND 28
1 1 2 1
2 2 3 1
3 3 4 1
4 2 5 1
5 3 6 2
6 7 8 1
7 7 9 1
8 7 10 1
9 7 11 1 #Up
10 8 12 2
11 8 13 1
12 9 14 1
13 11 15 1
14 12 16 1
15 13 17 1
16 13 18 2
17 14 19 1 #Up
18 16 20 2
19 16 21 1
20 14 17 1
21 15 19 1
22 18 20 1
23 19 22 1
24 22 23 1
25 9 24 1 #Down
26 23 25 2
27 25 26 1
28 25 27 1
|
|---|
