KEGG   DRUG: DenaverineHelp
Entry
D07787                      Drug                                   

Name
Denaverine (INN)
Formula
C24H33NO3
Exact mass
383.246
Mol weight
383.5237
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01241
Efficacy
Antispasmodic
Other DBs
CAS: 3579-62-2
PubChem: 96024484
ChEMBL: CHEMBL1614656
LigandBox: D07787
NIKKAJI: J8.172H
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C    23.3503  -19.4528
            2   C8x C    23.3503  -20.8568
            3   C8x C    24.5661  -21.5588
            4   C8x C    25.7821  -20.8568
            5   C8y C    25.7821  -19.4528
            6   C8x C    24.5661  -18.7508
            7   C1d C    27.0167  -18.7398
            8   C8y C    28.2253  -19.4374
            9   C8x C    28.2257  -20.8564
            10  C8x C    29.4418  -21.5581
            11  C8x C    30.6575  -20.8557
            12  C8x C    30.6570  -19.4366
            13  C8x C    29.4410  -18.7350
            14  O2a O    28.0095  -17.7469
            15  C7a C    26.0240  -17.7470
            16  C1b C    29.3462  -18.1056
            17  C1c C    30.3178  -17.1341
            18  C1b C    31.6577  -17.4934
            19  C1b C    29.9540  -15.7755
            20  C1a C    32.6415  -16.5097
            21  O7a O    24.6570  -18.1131
            22  C1b C    23.6810  -17.1366
            23  C1b C    22.3438  -17.4946
            24  N1c N    21.3596  -16.5097
            25  C1a C    20.0280  -16.8660
            26  C1a C    21.7262  -15.1426
            27  O6a O    26.3817  -16.4119
            28  C1a C    30.9600  -14.7702
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    7  14 1
            16    7  15 1
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1
            21   18  20 1
            22   15  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   24  26 1
            28   15  27 2
            29   19  28 1

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