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KEGG   DRUG: Dibutepinephrine hydrochloride
Entry
D12935                      Drug                                   
Name
Dibutepinephrine hydrochloride (USAN)
Formula
C17H25NO5. HCl
Exact mass
359.1500
Mol weight
359.84
Structure
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
Remark
Chemical structure group: DG03315
Efficacy
Sympathomimetic
Comment
Emergency treatment of type 1 allergic reactions, including anaphylaxis
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01450  alpha-Adrenergic receptor agonist
    DG03315  Dibutepinephrine
     D12935  Dibutepinephrine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D12935  Dibutepinephrine hydrochloride (USAN)
    ADRA2
     D12935  Dibutepinephrine hydrochloride (USAN)
    ADRB
     D12935  Dibutepinephrine hydrochloride (USAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01450  alpha-Adrenergic receptor agonist
    DG03315  Dibutepinephrine
Other DBs
CAS: 2735735-24-5
PubChem: 497621348
LinkDB
KCF data

ATOM        24
            1   C8y C    19.8119  -14.2814
            2   C8x C    19.8119  -15.6815
            3   C8x C    18.6218  -13.5813
            4   C1c C    21.0020  -13.5813
            5   C8x C    18.6218  -16.3816
            6   C8y C    17.3617  -14.2814
            7   C1b C    22.1921  -14.2814
            8   O1a O    21.0020  -12.1812
            9   C8y C    17.3617  -15.6815
            10  N1b N    23.4523  -13.5813
            11  O7a O    16.1716  -16.3816
            12  O7a O    16.1716  -13.5813
            13  C1a C    24.6424  -14.2814
            14  C7a C    16.1716  -17.7817
            15  O6a O    17.3617  -18.4118
            16  C1c C    14.9114  -18.4818
            17  C1a C    13.7213  -17.7817
            18  C1a C    14.9114  -19.8819
            19  C7a C    14.9114  -14.2114
            20  C1c C    13.7213  -13.5113
            21  O6a O    14.9114  -15.6815
            22  C1a C    12.5312  -14.2114
            23  C1a C    13.7213  -12.1112
            24  X   Cl   25.2700  -19.8800
BOND        23
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     3   6 2
            5     4   7 1
            6     4   8 1 #Up
            7     5   9 2
            8     7  10 1
            9     9  11 1
            10    6   9 1
            11    6  12 1
            12    1   2 2
            13   10  13 1
            14   11  14 1
            15   14  15 2
            16   14  16 1
            17   16  17 1
            18   16  18 1
            19   12  19 1
            20   19  20 1
            21   19  21 2
            22   20  22 1
            23   20  23 1

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