KEGG   DRUG: Ethaverine hydrochloride
Entry
D07927                      Drug                                   
Name
Ethaverine hydrochloride;
Ethaquin (TN)
Formula
C24H29NO4. HCl
Exact mass
431.1863
Mol weight
431.95
Structure
Simcomp
Remark
Chemical structure group: DG01238
Efficacy
Antispasmodic
Comment
Papaverine derivative
Other DBs
CAS: 985-13-7
PubChem: 96024622
LigandBox: D07927
NIKKAJI: J300.653K
LinkDB
KCF data

ATOM        30
            1   X   Cl   32.6481  -16.2815
            2   C8y C    22.6800  -16.9400
            3   C8y C    22.6800  -15.5400
            4   C8x C    23.8700  -14.8400
            5   C8y C    25.0600  -15.5400
            6   C8y C    25.0600  -16.9400
            7   C8x C    23.8700  -17.6400
            8   C8x C    26.3200  -14.8400
            9   C8x C    27.5100  -15.5400
            10  N5x N    27.5100  -16.9400
            11  C8y C    26.3200  -17.6400
            12  C1b C    26.3200  -19.0400
            13  C8y C    27.5100  -19.7400
            14  C8x C    28.7000  -19.0400
            15  C8y C    29.9600  -19.7400
            16  C8y C    29.9600  -21.2100
            17  C8x C    28.7700  -21.8400
            18  C8x C    27.5100  -21.1400
            19  O2a O    21.4200  -17.6400
            20  O2a O    21.4200  -14.8400
            21  O2a O    31.1500  -21.9100
            22  C1b C    32.4100  -21.2100
            23  C1a C    33.6000  -21.8400
            24  C1b C    20.2300  -16.9400
            25  C1a C    19.0400  -17.6400
            26  C1b C    20.2300  -15.5400
            27  C1a C    19.0400  -14.8400
            28  O2a O    31.1500  -19.0400
            29  C1b C    32.3400  -19.7400
            30  C1a C    33.6000  -18.9700
BOND        31
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    6  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20    2  19 1
            21    3  20 1
            22   16  21 1
            23   21  22 1
            24   22  23 1
            25   19  24 1
            26   24  25 1
            27   20  26 1
            28   26  27 1
            29   15  28 1
            30   28  29 1
            31   29  30 1

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