KEGG   COMPOUND: C07435
Entry
C07435                      Compound                               
Name
Phenoxybenzamine
Formula
C18H22ClNO
Exact mass
303.139
Mol weight
303.8264
Structure
Remark
Same as: D08358
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AX Other peripheral vasodilators
     C04AX02 Phenoxybenzamine
      D08358  Phenoxybenzamine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG00285  Phenoxybenzamine
     D08358  Phenoxybenzamine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D08358  Phenoxybenzamine (INN)
    ADRA2
     D08358  Phenoxybenzamine (INN)
Other DBs
CAS: 59-96-1
PubChem: 9639
ChEBI: 8077
NIKKAJI: J4.795C
LinkDB
KCF data

ATOM        21
            1   C8y C    20.8637  -19.7686
            2   C1b C    22.0758  -20.4679
            3   C8x C    19.6632  -20.4679
            4   C8x C    20.8637  -18.3876
            5   N1c N    23.2821  -19.7686
            6   C8x C    18.4628  -19.7686
            7   C8x C    19.6632  -17.6824
            8   C1c C    24.4767  -20.4679
            9   C1b C    23.2821  -18.3876
            10  C8x C    18.4628  -18.3876
            11  C1b C    25.6830  -19.7686
            12  C1a C    24.4767  -21.8549
            13  C1b C    24.5757  -17.9154
            14  O2a O    26.8892  -20.4679
            15  X   Cl   24.5757  -16.5228
            16  C8y C    28.3053  -19.6929
            17  C8x C    28.2702  -18.3060
            18  C8x C    29.4999  -20.4156
            19  C8x C    29.5698  -17.6417
            20  C8x C    30.7354  -19.7453
            21  C8x C    30.7585  -18.3700
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 1
            14   13  15 1
            15   14  16 1
            16   16  17 1
            17   16  18 2
            18   17  19 2
            19   18  20 1
            20   19  21 1
            21    7  10 2
            22   20  21 2

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