| Entry |
|
|---|
| Name |
Difeterol (JAN/INN) |
|---|
| Formula |
C25H29NO2
|
|---|
| Exact mass |
375.2198
|
|---|
| Mol weight |
375.50
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihistaminic |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Brite |
Risk category of Japanese OTC drugs [BR:br08312]
Second-class OTC drugs
Inorganic and organic chemicals
Difeterol
D09748 Difeterol (JAN/INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D09748 Difeterol (JAN/INN)
|
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| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8x C 18.4100 -21.2100
2 C8x C 18.4100 -22.6100
3 C8x C 19.6700 -23.3100
4 C8x C 20.8600 -22.6100
5 C8y C 20.8600 -21.2100
6 C8x C 19.6700 -20.5100
7 C1c C 22.1200 -20.4400
8 C8y C 23.3100 -21.1400
9 C8x C 23.3100 -22.6100
10 C8x C 24.5000 -23.3100
11 C8x C 25.7600 -22.6100
12 C8x C 25.7600 -21.1400
13 C8x C 24.5000 -20.4400
14 O2a O 22.1200 -19.1100
15 C1b C 23.3100 -18.4100
16 C1b C 24.5000 -19.0400
17 N1c N 25.6900 -18.4100
18 C1c C 26.8800 -19.0400
19 C1a C 25.6900 -16.9400
20 C1c C 28.0700 -18.4100
21 C1a C 26.8800 -20.5100
22 C8y C 29.2600 -19.0400
23 O1a O 28.0700 -16.9400
24 C8x C 29.2600 -20.5100
25 C8x C 30.4500 -21.2100
26 C8x C 31.7100 -20.5100
27 C8x C 31.7100 -19.0400
28 C8x C 30.4500 -18.3400
BOND 30
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 7 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 17 19 1
21 18 20 1
22 18 21 1
23 20 22 1
24 20 23 1
25 22 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 22 28 1
|
|---|