KEGG   COMPOUND: C11191Help
Entry
C11191                      Compound                               

Name
cis-(Z)-Flupenthixol
Formula
C23H25F3N2OS
Exact mass
434.164
Mol weight
434.5176
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 53772-82-0
PubChem: 13372
ChEBI: 10454
ChEMBL: CHEMBL54661
NIKKAJI: J10.870G
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    26.7678  -21.9798
            2   C8y C    25.5971  -21.2434
            3   C8y C    26.7678  -23.3110
            4   C8x C    27.9326  -21.2200
            5   C8y C    24.4323  -21.9798
            6   C2b C    25.5914  -19.8584
            7   S2x S    25.5971  -24.0614
            8   C8x C    27.9326  -24.0614
            9   C8y C    29.1151  -21.9798
            10  C8y C    24.4323  -23.3110
            11  C8x C    23.2602  -21.2200
            12  C1b C    26.7853  -19.1513
            13  C8x C    29.1151  -23.3110
            14  C1d C    30.3326  -21.1896
            15  C8x C    23.3435  -24.0251
            16  C8x C    22.0778  -21.9798
            17  C1b C    26.7796  -17.7606
            18  X   F    31.6883  -20.3280
            19  X   F    31.7948  -22.0876
            20  X   F    30.3326  -19.7463
            21  C8x C    22.0778  -23.2220
            22  N1y N    27.9737  -17.0592
            23  C1x C    29.1807  -17.7478
            24  C1x C    28.0261  -15.6744
            25  C1x C    30.3749  -17.0535
            26  C1x C    29.1560  -14.9790
            27  N1y N    30.3689  -15.6685
            28  C1b C    31.5514  -14.9604
            29  C1b C    32.7525  -15.6568
            30  O1a O    33.9478  -14.9544
BOND        33
            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     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 2
            16   12  17 1
            17   14  18 1
            18   14  19 1
            19   14  20 1
            20   15  21 2
            21   17  22 1
            22   22  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26   25  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30    7  10 1
            31    9  13 1
            32   16  21 1
            33   26  27 1

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