KEGG   DRUG: Ethaverine
Entry
D07926                      Drug                                   
Name
Ethaverine (INN);
Ethquinol (TN)
Formula
C24H29NO4
Exact mass
395.2097
Mol weight
395.49
Structure
Simcomp
Remark
Chemical structure group: DG01238
Efficacy
Antispasmodic
Comment
Papaverine derivative
Other DBs
CAS: 486-47-5
PubChem: 96024621
PDB-CCD: VIC[PDBj]
LigandBox: D07926
NIKKAJI: J6.010K
LinkDB
KCF data

ATOM        29
            1   C8y C    22.6800  -15.8900
            2   C8y C    22.6800  -14.4900
            3   C8x C    23.8700  -13.7900
            4   C8y C    25.0600  -14.4900
            5   C8y C    25.0600  -15.8900
            6   C8x C    23.8700  -16.5900
            7   C8x C    26.3200  -13.7900
            8   C8x C    27.5100  -14.4900
            9   N5x N    27.5100  -15.8900
            10  C8y C    26.3200  -16.5900
            11  C1b C    26.3200  -17.9900
            12  C8y C    27.5100  -18.6900
            13  C8x C    28.7000  -17.9900
            14  C8y C    29.9600  -18.6900
            15  C8y C    29.9600  -20.1600
            16  C8x C    28.7700  -20.7900
            17  C8x C    27.5100  -20.0900
            18  O2a O    21.4200  -16.5900
            19  O2a O    21.4200  -13.7900
            20  O2a O    31.1500  -20.8600
            21  C1b C    32.4100  -20.1600
            22  C1a C    33.6000  -20.7900
            23  C1b C    20.2300  -15.8900
            24  C1a C    19.0400  -16.5900
            25  C1b C    20.2300  -14.4900
            26  C1a C    19.0400  -13.7900
            27  O2a O    31.1666  -17.9800
            28  C1b C    32.3763  -18.6653
            29  C1a C    33.5966  -17.9470
BOND        31
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20    1  18 1
            21    2  19 1
            22   15  20 1
            23   20  21 1
            24   21  22 1
            25   18  23 1
            26   23  24 1
            27   19  25 1
            28   25  26 1
            29   14  27 1
            30   27  28 1
            31   28  29 1

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