KEGG   DRUG: D00509Help
Entry
D00509                      Drug                                   

Name
Phentolamine mesilate (JAN/INN);
Phentolamine mesylate (USP);
Regitine (TN)
Product
  Generic
Formula
C17H19N3O. CH4SO3
Exact mass
377.1409
Mol weight
377.4579
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-adrenergic
Remark
Therapeutic category: 
ATC code: 
Target
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135];
alpha2-adrenergic receptor antagonist [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Structure map
alpha-Adrenergic receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D00509  Phentolamine mesilate (JAN/INN); Phentolamine mesylate (USP)
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   729  Miscellaneous
    7290  Miscellaneous
     D00509  Phentolamine mesilate (JAN/INN); Phentolamine mesylate (USP)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AB Imidazoline derivatives
     C04AB01 Phentolamine
      D00509  Phentolamine mesilate (JAN/INN); Phentolamine mesylate (USP)
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB36 Phentolamine
      D00509  Phentolamine mesilate (JAN/INN); Phentolamine mesylate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor [HSA:146 147 148] [KO:K04137 K04136 K04135]
     Phentolamine [ATC:C04AB01 V03AB36]
      D00509  Phentolamine mesilate (JAN/INN); Phentolamine mesylate (USP)
    alpha2-adrenergic receptor [HSA:150 151 152] [KO:K04138 K04139 K04140]
     Phentolamine [ATC:C04AB01 V03AB36]
      D00509  Phentolamine mesilate (JAN/INN); Phentolamine mesylate (USP)
BRITE hierarchy
Other DBs
CAS: 
65-28-1
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

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

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