KEGG   COMPOUND: C14319Help
Entry
C14319                      Compound                               
Name
SR 141716;
Rimonabant
Formula
C22H21Cl3N4O
Exact mass
462.0781
Mol weight
463.7873
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Target: cannabinoid receptor 1 (brain) antagonist (inverse agonist) [HSA:1268] [KO:K04277]
Pathway
1,2-Diphenyl substitution family
Other DBs
CAS: 
168273-06-1
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   N4y N    23.9656  -18.2516
            2   C8y C    23.9656  -19.6487
            3   C8y C    25.2928  -20.0679
            4   C8y C    26.1311  -18.9502
            5   N5x N    25.2928  -17.8324
            6   C8y C    22.8479  -20.4870
            7   C8y C    22.8479  -17.4133
            8   C8y C    20.4029  -16.0161
            9   C8x C    20.4029  -17.4133
            10  C8x C    21.5905  -18.1119
            11  C8y C    22.8479  -16.0161
            12  C8x C    21.5905  -15.3176
            13  C8x C    20.4029  -20.4870
            14  C8y C    20.4029  -21.8841
            15  C8x C    21.5905  -22.5827
            16  C8x C    22.8479  -21.8841
            17  C8x C    21.5905  -19.7884
            18  X   Cl   24.0519  -15.3077
            19  X   Cl   19.1900  -15.3225
            20  X   Cl   19.1900  -22.5778
            21  C1a C    25.7200  -21.3980
            22  C5a C    27.5282  -18.9502
            23  O5a O    28.2268  -20.1600
            24  N1b N    28.2268  -17.7402
            25  N1y N    29.6385  -17.7403
            26  C1x C    30.3335  -18.9442
            27  C1x C    31.7349  -18.9442
            28  C1x C    32.4356  -17.7306
            29  C1x C    31.7407  -16.5268
            30  C1x C    30.3393  -16.5267
BOND        33
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     2   6 1
            7     1   7 1
            8     8   9 2
            9     9  10 1
            10   10   7 2
            11    7  11 1
            12   11  12 2
            13    8  12 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16   6 1
            18    6  17 2
            19   13  17 1
            20   11  18 1
            21    8  19 1
            22   14  20 1
            23    3  21 1
            24    4  22 1
            25   22  23 2
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   25  30 1

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