Entry |
|
Name |
Domazoline fumarate (USAN) |
Formula |
C14H20N2O2. C4H4O4
|
Exact mass |
364.1634
|
Mol weight |
364.39
|
Structure |
|
Efficacy |
Vasoconstrictor, alpha-Adrenergic receptor agonist |
Comment |
Anticholinergic
Imidazoline derivative
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
hsa04270 | Vascular smooth muscle contraction |
|
Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRA1
D03887 Domazoline fumarate (USAN)
ADRA2
D03887 Domazoline fumarate (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 26
1 C6a C 26.8518 -18.1445
2 C2b C 28.0493 -18.8388
3 O6a O 25.6543 -18.8388
4 O6a O 26.8518 -16.7620
5 C2b C 29.2525 -18.1445
6 C6a C 30.4500 -18.8388
7 O6a O 31.6476 -18.1445
8 O6a O 30.4500 -20.2213
9 C8y C 18.7600 -17.1500
10 C8y C 18.7600 -18.5500
11 C8y C 19.9724 -19.2500
12 C8x C 21.1849 -18.5500
13 C8y C 21.1849 -17.1500
14 C8y C 19.9724 -16.4500
15 O2a O 22.4160 -16.4390
16 C1a C 23.6212 -17.1347
17 O2a O 17.5476 -19.2500
18 C1a C 16.3521 -18.5596
19 C1a C 17.5476 -16.4500
20 C1a C 19.9724 -20.6498
21 C1b C 19.9724 -15.0502
22 C2y C 21.1680 -14.3598
23 N2x N 21.1680 -12.9598
24 N1x N 22.4995 -14.7924
25 C1x C 23.3224 -13.6598
26 C1x C 22.4995 -12.5272
BOND 26
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 5 6 1
6 6 7 1
7 6 8 2
8 9 10 2
9 10 11 1
10 11 12 2
11 12 13 1
12 13 14 2
13 9 14 1
14 13 15 1
15 15 16 1
16 10 17 1
17 17 18 1
18 9 19 1
19 11 20 1
20 14 21 1
21 21 22 1
22 22 23 2
23 22 24 1
24 24 25 1
25 25 26 1
26 23 26 1
|