KEGG   COMPOUND: C06861Help
Entry
C06861                      Compound                               

Name
Buspirone
Formula
C21H31N5O2
Exact mass
385.2478
Mol weight
385.5031
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05B ANXIOLYTICS
    N05BE Azaspirodecanedione derivatives
     N05BE01 Buspirone
      D07593  Buspirone (INN)
USP drug classification [BR:br08302]
 Anxiolytics
  Anxiolytics, Other
   Buspirone
    D07593  Buspirone (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT1A-receptor
     Buspirone
      D07593  Buspirone (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A
   Buspirone
    D07593  Buspirone (INN)
BRITE hierarchy
Other DBs
CAS: 
36505-84-7
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1z C    30.6404  -12.9078
            2   C1x C    29.4068  -12.2086
            3   C1x C    30.6441  -14.3018
            4   C5x C    28.2251  -12.9483
            5   C5x C    29.4160  -15.0433
            6   N1y N    28.2289  -14.3424
            7   O5x O    26.9915  -12.2493
            8   O5x O    29.4181  -16.3909
            9   C1b C    27.0455  -15.0358
            10  C1b C    25.8120  -14.3366
            11  C1b C    24.6286  -15.0299
            12  C1b C    23.3951  -14.3309
            13  N1y N    22.2136  -15.0707
            14  C1x C    20.9800  -14.3715
            15  C1x C    22.2173  -16.4646
            16  C1x C    19.7966  -15.0648
            17  C1x C    20.9876  -17.1596
            18  N1y N    19.8004  -16.4589
            19  C8y C    18.5707  -17.1539
            20  N5x N    17.3836  -16.4531
            21  N5x N    18.5279  -18.5479
            22  C8x C    16.0841  -17.1481
            23  C8x C    17.3446  -19.2412
            24  C8x C    16.1110  -18.5405
            25  C1x C    31.9678  -13.3391
            26  C1x C    32.7876  -12.2098
            27  C1x C    31.9670  -11.0811
            28  C1x C    30.6399  -11.5128
BOND        31
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 2
            7     5   8 2
            8     6   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21   20  22 2
            22   21  23 1
            23   22  24 1
            24    5   6 1
            25   17  18 1
            26   23  24 2
            27    1  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31    1  28 1

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