KEGG   DRUG: PirenperoneHelp
Entry
D05495                      Drug                                   

Name
Pirenperone (USAN/INN)
Formula
C23H24FN3O2
Exact mass
393.1853
Mol weight
393.454
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01940  Butyrophenone derivative
Efficacy
Tranquilizer
Comment
Butyrophenone derivative
Interaction
Drug interaction
Other DBs
CAS: 75444-65-4
PubChem: 47207164
ChEMBL: CHEMBL18331
LigandBox: D05495
NIKKAJI: J11.309C
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    35.3500  -20.9300
            2   C8x C    35.3500  -19.5300
            3   C8x C    34.0900  -18.8300
            4   N4y N    32.9000  -19.5300
            5   C8y C    32.9000  -20.9300
            6   C8x C    34.0900  -21.6300
            7   C8y C    31.7100  -18.8300
            8   C8y C    30.4500  -19.5300
            9   C8y C    30.4500  -20.9300
            10  N5x N    31.7100  -21.6300
            11  O5x O    31.7100  -17.3600
            12  C1a C    29.2600  -21.5600
            13  C1b C    29.2600  -18.8300
            14  C1b C    28.0700  -19.4600
            15  N1y N    26.8800  -18.8300
            16  C1x C    26.8800  -17.3600
            17  C1x C    25.6900  -16.6600
            18  C1y C    24.5000  -17.3600
            19  C1x C    24.5000  -18.8300
            20  C1x C    25.6900  -19.5300
            21  C5a C    23.2400  -16.6600
            22  C8y C    22.0500  -17.3600
            23  C8x C    22.0500  -18.8300
            24  C8x C    20.7900  -16.6600
            25  C8x C    19.6000  -17.3600
            26  C8y C    19.6000  -18.8300
            27  C8x C    20.7900  -19.5300
            28  O5a O    23.2400  -15.2600
            29  X   F    18.4100  -19.4600
BOND        32
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    7  11 2
            13    9  12 1
            14    8  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   23  27 2
            31   21  28 2
            32   26  29 1

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