KEGG   COMPOUND: C06970Help
Entry
C06970                      Compound                               

Name
Doxazosin
Formula
C23H25N5O5
Exact mass
451.1856
Mol weight
451.4751
Structure
Mol fileKCF fileDB search
Remark
Same as: D07874
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02C ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
    C02CA Alpha-adrenoreceptor antagonists
     C02CA04 Doxazosin
      D07874  Doxazosin (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D07874  Doxazosin (INN)
BRITE hierarchy
Other DBs
CAS: 74191-85-8
PubChem: 9184
ChEBI: 4708
ChEMBL: CHEMBL707
NIKKAJI: J21.371C
KCF data Show

ATOM        33
            1   C8y C    34.3176  -15.7611
            2   C8y C    34.3117  -17.1590
            3   N5x N    33.1118  -15.0561
            4   C8x C    35.5351  -15.0678
            5   C8x C    35.5234  -17.8639
            6   C8y C    33.0942  -17.8580
            7   C8y C    31.8943  -15.7494
            8   C8y C    36.7409  -15.7725
            9   C8y C    36.7350  -17.1706
            10  N5x N    31.8884  -17.1532
            11  N1a N    33.0942  -19.2620
            12  N1y N    30.6825  -15.0504
            13  O2a O    37.9583  -15.0794
            14  O2a O    37.9466  -17.8756
            15  C1x C    29.4710  -15.7377
            16  C1x C    30.6885  -13.6464
            17  C1a C    39.1700  -15.7842
            18  C1a C    39.1641  -17.1823
            19  C1x C    28.2594  -15.0387
            20  C1x C    29.4826  -12.9416
            21  N1y N    28.2710  -13.6464
            22  C5a C    27.0593  -12.9357
            23  C1y C    25.8418  -13.6347
            24  O5a O    27.0652  -11.5378
            25  O2x O    24.6302  -12.9240
            26  C1x C    25.8361  -15.0328
            27  C8y C    23.4127  -13.6231
            28  O2x O    24.6186  -15.7261
            29  C8y C    23.4070  -15.0270
            30  C8x C    22.2069  -12.9183
            31  C8x C    22.2069  -15.7202
            32  C8x C    20.9894  -13.6231
            33  C8x C    20.9894  -15.0270
BOND        37
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   12  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 2
            30   29  31 2
            31   30  32 1
            32   31  33 1
            33    7  10 2
            34    8   9 1
            35   20  21 1
            36   28  29 1
            37   32  33 2

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