KEGG   DRUG: Phenylephrine
Entry
D08365                      Drug                                   

Name
Phenylephrine (INN);
Phenylephrine Minims (TN)
Formula
C9H13NO2
Exact mass
167.0946
Mol weight
167.205
Structure
Simcomp
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01702  Phenethylamine cardiotonic
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01448  alpha1-Adrenergic receptor agonist
    DG01654  alpha1-Adrenergic receptor specific agonist
Remark
Same as: C07441
ATC code: C01CA06 R01AA04 R01AB01 R01BA03 S01FB01 S01GA05
Chemical structure group: DG00215
Product (DG00215): D00511<JP/US>
Product (mixture): D10837<US>
Efficacy
Vasoconstrictor, alpha1-Adrenergic receptor agonist
Comment
Phenethylamine derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
  Pathway
hsa04020  Calcium signaling 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
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA06 Phenylephrine
      D08365  Phenylephrine (INN)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AA Sympathomimetics, plain
     R01AA04 Phenylephrine
      D08365  Phenylephrine (INN)
    R01AB Sympathomimetics, combinations excl. corticosteroids
     R01AB01 Phenylephrine
      D08365  Phenylephrine (INN)
   R01B NASAL DECONGESTANTS FOR SYSTEMIC USE
    R01BA Sympathomimetics
     R01BA03 Phenylephrine
      D08365  Phenylephrine (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01F MYDRIATICS AND CYCLOPLEGICS
    S01FB Sympathomimetics excl. antiglaucoma preparations
     S01FB01 Phenylephrine
      D08365  Phenylephrine (INN)
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GA Sympathomimetics used as decongestants
     S01GA05 Phenylephrine
      D08365  Phenylephrine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Phenylephrine
    D08365  Phenylephrine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D08365  Phenylephrine (INN)
Other DBs
CAS: 59-42-7
PubChem: 96025051
ChEBI: 8093
ChEMBL: CHEMBL1215
DrugBank: DB00388
LigandBox: D08365
NIKKAJI: J8.601K
LinkDB
KCF data

ATOM        12
            1   C8y C    13.1600  -38.5700
            2   C8x C    13.1600  -39.9700
            3   C8x C    14.3724  -40.6700
            4   C8x C    15.5849  -39.9700
            5   C8y C    15.5849  -38.5700
            6   C8x C    14.3724  -37.8700
            7   O1a O    11.9476  -37.8700
            8   C1c C    16.8160  -37.8590
            9   C1b C    18.0212  -38.5547
            10  O1a O    16.8157  -36.4701
            11  N1b N    19.2035  -37.8719
            12  C1a C    20.3975  -38.5612
BOND        12
            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     1   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 1 #Up
            11    9  11 1
            12   11  12 1

» Japanese version   » Back

KEGG   DRUG: Phenylephrine hydrochloride
Entry
D00511                      Drug                                   

Name
Phenylephrine hydrochloride (JP17/USP);
Neo-synephrine (TN)
Product
  Generic
Formula
C9H13NO2. HCl
Exact mass
203.0713
Mol weight
203.666
Structure
Simcomp
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01702  Phenethylamine cardiotonic
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01448  alpha1-Adrenergic receptor agonist
    DG01654  alpha1-Adrenergic receptor specific agonist
Remark
Therapeutic category: 1311 2160
ATC code: C01CA06 R01AA04 R01AB01 R01BA03 S01FB01 S01GA05
Chemical structure group: DG00215
Product (DG00215): D00511<JP/US>
Product (mixture): D04081<JP> D10837<US> D11698<US>
Efficacy
Antihypotensive, Midriatic, Vasoconstrictor, alpha1-Adrenergic receptor agonist
Comment
Phenethylamine derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
  Pathway
hsa04020  Calcium signaling 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
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA06 Phenylephrine
      D00511  Phenylephrine hydrochloride (JP17/USP) <JP/US>
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AA Sympathomimetics, plain
     R01AA04 Phenylephrine
      D00511  Phenylephrine hydrochloride (JP17/USP) <JP/US>
    R01AB Sympathomimetics, combinations excl. corticosteroids
     R01AB01 Phenylephrine
      D00511  Phenylephrine hydrochloride (JP17/USP) <JP/US>
   R01B NASAL DECONGESTANTS FOR SYSTEMIC USE
    R01BA Sympathomimetics
     R01BA03 Phenylephrine
      D00511  Phenylephrine hydrochloride (JP17/USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01F MYDRIATICS AND CYCLOPLEGICS
    S01FB Sympathomimetics excl. antiglaucoma preparations
     S01FB01 Phenylephrine
      D00511  Phenylephrine hydrochloride (JP17/USP) <JP/US>
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GA Sympathomimetics used as decongestants
     S01GA05 Phenylephrine
      D00511  Phenylephrine hydrochloride (JP17/USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1311  Mydriatic agents
     D00511  Phenylephrine hydrochloride (JP17/USP)
 2  Agents affecting individual organs
  21  Cardiovascular agents
   216  Vasoconstrictors
    2160  Vasoconstrictors
     D00511  Phenylephrine hydrochloride (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Phenylephrine
    D00511  Phenylephrine hydrochloride (JP17/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00511  Phenylephrine hydrochloride (JP17/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00511  Phenylephrine hydrochloride
Rx-to-OTC switch list in the USA [br08315.html]
 D00511
Other DBs
CAS: 61-76-7
PubChem: 7847577
ChEBI: 8094
ChEMBL: CHEMBL1200339
DrugBank: DB00388
LigandBox: D00511
NIKKAJI: J98.894D
LinkDB
KCF data

ATOM        13
            1   X   Cl   25.9001  -19.1101
            2   C8y C    18.0600  -16.7300
            3   C8x C    18.0600  -18.1300
            4   C8x C    19.2500  -18.8300
            5   C8x C    20.4400  -18.1300
            6   C8y C    20.4400  -16.7300
            7   C8x C    19.2500  -16.0300
            8   O1a O    16.8000  -16.0300
            9   C1c C    21.7000  -16.0300
            10  C1b C    22.8900  -16.7300
            11  O1a O    21.7000  -14.6300
            12  N1b N    24.0800  -16.0300
            13  C1a C    25.2700  -16.7300
BOND        12
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     2   8 1
            8     6   9 1
            9     9  10 1
            10    9  11 1 #Up
            11   10  12 1
            12   12  13 1

» Japanese version   » Back

KEGG   DRUG: Phenylephrine bitartrate
Entry
D08966                      Drug                                   

Name
Phenylephrine bitartrate (USP)
Formula
C9H13NO2. C4H6O6
Exact mass
317.1111
Mol weight
317.2919
Structure
Simcomp
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01702  Phenethylamine cardiotonic
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01448  alpha1-Adrenergic receptor agonist
    DG01654  alpha1-Adrenergic receptor specific agonist
Remark
ATC code: C01CA06 R01AA04 R01AB01 R01BA03 S01FB01 S01GA05
Chemical structure group: DG00215
Product (DG00215): D00511<JP/US>
Efficacy
Vasoconstrictor, alpha1-Adrenergic receptor agonist
Comment
Phenethylamine derivative
See [DR:D08366]
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
  Pathway
hsa04020  Calcium signaling 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
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA06 Phenylephrine
      D08966  Phenylephrine bitartrate (USP)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AA Sympathomimetics, plain
     R01AA04 Phenylephrine
      D08966  Phenylephrine bitartrate (USP)
    R01AB Sympathomimetics, combinations excl. corticosteroids
     R01AB01 Phenylephrine
      D08966  Phenylephrine bitartrate (USP)
   R01B NASAL DECONGESTANTS FOR SYSTEMIC USE
    R01BA Sympathomimetics
     R01BA03 Phenylephrine
      D08966  Phenylephrine bitartrate (USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01F MYDRIATICS AND CYCLOPLEGICS
    S01FB Sympathomimetics excl. antiglaucoma preparations
     S01FB01 Phenylephrine
      D08966  Phenylephrine bitartrate (USP)
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GA Sympathomimetics used as decongestants
     S01GA05 Phenylephrine
      D08966  Phenylephrine bitartrate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D08966  Phenylephrine bitartrate (USP)
Other DBs
CAS: 17162-39-9
PubChem: 96025649
LigandBox: D08966
NIKKAJI: J321.100B
LinkDB
KCF data

ATOM        22
            1   O6a O    20.8287  -16.4689
            2   C6a C    22.0425  -15.7681
            3   C1c C    23.2564  -16.4689
            4   C1c C    24.4702  -15.7681
            5   C6a C    25.6840  -16.4689
            6   O6a O    26.8979  -15.7681
            7   O6a O    22.0425  -14.3667
            8   O6a O    25.6840  -17.8704
            9   O1a O    23.2564  -17.8703
            10  O1a O    24.4702  -14.3665
            11  C8y C    10.0800  -16.4500
            12  C8x C    10.0800  -17.8500
            13  C8x C    11.2700  -18.5500
            14  C8x C    12.4600  -17.8500
            15  C8y C    12.4600  -16.4500
            16  C8x C    11.2700  -15.7500
            17  O1a O     8.8200  -15.7500
            18  C1c C    13.7200  -15.7500
            19  C1b C    14.9100  -16.4500
            20  O1a O    13.7200  -14.3500
            21  N1b N    16.1000  -15.7500
            22  C1a C    17.2900  -16.4500
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 2
            7     5   8 2
            8     3   9 1 #Up
            9     4  10 1 #Up
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   15  16 2
            15   11  16 1
            16   11  17 1
            17   15  18 1
            18   18  19 1
            19   18  20 1 #Up
            20   19  21 1
            21   21  22 1

» Japanese version   » Back

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