| Entry |
|
|---|
| Name |
Phentolamine mesylate (USP);
Phentolamine mesilate (JAN/INN);
Regitine (TN) |
|---|
| Product |
|
|---|
| Generic |
|
|---|
| Formula |
C17H19N3O. CH4SO3
|
|---|
| Exact mass |
377.1409
|
|---|
| Mol weight |
377.4579
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01465 alpha-Adrenergic receptor antagonist
DG03231 Antihypertensive
|
|---|
| Remark |
| Product (DG00280): | D00509<JP/US> |
|
|---|
| Efficacy |
Vasodilator, Diagnostic, alpha-Adrenergic receptor antagonist |
|---|
| Comment |
Imidazoline derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07215 | alpha-Adrenergic receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AB Imidazoline derivatives
C04AB01 Phentolamine
D00509 Phentolamine mesylate (USP) <JP/US>
V VARIOUS
V03 ALL OTHER THERAPEUTIC PRODUCTS
V03A ALL OTHER THERAPEUTIC PRODUCTS
V03AB Antidotes
V03AB36 Phentolamine
D00509 Phentolamine mesylate (USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
219 Miscellaneous
2190 Miscellaneous
D00509 Phentolamine mesylate (USP); Phentolamine mesilate (JAN/INN)
7 Agents not mainly for therapeutic purpose
72 Intracorporeal diagnostic agents
729 Miscellaneous
7290 Miscellaneous
D00509 Phentolamine mesylate (USP); Phentolamine mesilate (JAN/INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01465 alpha-Adrenergic receptor antagonist
DG00280 Phentolamine
D00509 Phentolamine mesylate
DG03231 Antihypertensive
DG00280 Phentolamine
D00509 Phentolamine mesylate
Drug classes [BR:br08332]
Cardiovascular agent
DG03231 Antihypertensive
D00509 Phentolamine mesylate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRA1
D00509 Phentolamine mesylate (USP) <JP/US>
ADRA2
D00509 Phentolamine mesylate (USP) <JP/US>
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01465 alpha-Adrenergic receptor antagonist
DG00280 Phentolamine
DG03231 Antihypertensive
DG00280 Phentolamine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 26
1 N1c N 28.8633 -17.6079
2 C8y C 30.0769 -18.3081
3 C8y C 27.6555 -18.3081
4 C1b C 28.8633 -16.2076
5 C8x C 31.2905 -17.6079
6 C8x C 30.0769 -19.7085
7 C8x C 27.6555 -19.7142
8 C8x C 26.4418 -17.6079
9 C2y C 30.0769 -15.5133
10 C8y C 32.5042 -18.3140
11 C8x C 31.2847 -20.4087
12 C8x C 26.4418 -20.4087
13 C8x C 25.2282 -18.3081
14 N1x N 31.4009 -15.9901
15 N2x N 30.1298 -14.1132
16 C8x C 32.5042 -19.7142
17 O1a O 33.7120 -17.6079
18 C8y C 25.2282 -19.7142
19 C1x C 32.2542 -14.8896
20 C1x C 31.4773 -13.7270
21 C1a C 24.0145 -20.4144
22 S4a S 38.8063 -17.5424
23 C1a C 37.4103 -17.5353
24 O1d O 40.2022 -17.5424
25 O1d O 38.7992 -18.9384
26 O1d O 38.7992 -16.1465
BOND 27
1 2 5 1
2 2 6 2
3 3 7 1
4 3 8 2
5 4 9 1
6 5 10 2
7 6 11 1
8 7 12 2
9 8 13 1
10 9 14 1
11 9 15 2
12 10 16 1
13 10 17 1
14 12 18 1
15 14 19 1
16 15 20 1
17 18 21 1
18 11 16 2
19 13 18 2
20 19 20 1
21 1 2 1
22 1 3 1
23 1 4 1
24 22 23 1
25 22 24 1
26 22 25 2
27 22 26 2
|
|---|
