KEGG   COMPOUND: C07777Help
Entry
C07777                      Compound                               

Name
Buclizine
Formula
C28H33ClN2
Exact mass
432.2332
Mol weight
433.028
Structure
Mol fileKCF fileDB search
Remark
Same as: D07547
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AE Piperazine derivatives
     R06AE01 Buclizine
      D07547  Buclizine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07547  Buclizine (INN)
BRITE hierarchy
Other DBs
CAS: 82-95-1
PubChem: 9979
ChEBI: 3205
ChEMBL: CHEMBL1201271
NIKKAJI: J4.623J
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1c C    23.7725  -18.6331
            2   N1y N    23.7725  -17.2298
            3   C8y C    22.5556  -19.3435
            4   C8y C    24.9838  -19.3493
            5   C1x C    22.5556  -16.5367
            6   C1x C    24.9955  -16.5484
            7   C8x C    22.5614  -20.7469
            8   C8x C    21.3502  -18.6390
            9   C8x C    24.9779  -20.7469
            10  C8x C    26.2009  -18.6505
            11  C1x C    22.5730  -15.1450
            12  C1x C    24.9955  -15.1450
            13  C8x C    21.3502  -21.4457
            14  C8x C    20.1331  -19.3435
            15  C8x C    26.1892  -21.4516
            16  C8x C    27.4120  -19.3609
            17  N1y N    23.7901  -14.4462
            18  C8y C    20.1331  -20.7469
            19  C8x C    27.4063  -20.7585
            20  C1b C    23.7842  -13.0486
            21  X   Cl   18.9218  -21.4457
            22  C8y C    24.9955  -12.3558
            23  C8x C    26.2009  -13.0486
            24  C8x C    24.9955  -10.9582
            25  C8x C    27.4180  -12.3558
            26  C8x C    26.2066  -10.2535
            27  C8y C    27.4180  -10.9582
            28  C1d C    28.6234  -10.2418
            29  C1a C    28.6175   -8.8442
            30  C1a C    29.3105  -11.4531
            31  C1a C    29.9744   -9.8750
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 2
            16   11  17 1
            17   13  18 1
            18   15  19 2
            19   17  20 1
            20   18  21 1
            21   20  22 1
            22   22  23 2
            23   22  24 1
            24   23  25 1
            25   24  26 2
            26   25  27 2
            27   27  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 1
            31   12  17 1
            32   14  18 2
            33   16  19 1
            34   26  27 1

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