KEGG   DRUG: Phentolamine mesylateHelp
Entry
D00509                      Drug                                   

Name
Phentolamine mesylate (USP);
Phentolamine mesilate (JAN/INN);
Regitine (TN)
Product
  Generic
Formula
C17H19N3O. CH4SO3
Exact mass
377.1409
Mol weight
377.4579
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Remark
Therapeutic category: 2190 7290
ATC code: C04AB01 V03AB36
Chemical structure group: DG00280
Product (DG00280): D00509<JP/US>
Efficacy
Vasodilator, Diagnostic, alpha-Adrenergic receptor antagonist
Comment
Imidazoline derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Interaction
Drug 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)
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>
BRITE hierarchy
Other DBs
CAS: 65-28-1
PubChem: 7847575
ChEBI: 8081
ChEMBL: CHEMBL1200873
DrugBank: DB00692
LigandBox: D00509
NIKKAJI: J260.439F
LinkDB All DBs
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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