KEGG   DRUG: Adiphenine hydrochlorideHelp
Entry
D02772                      Drug                                   

Name
Adiphenine hydrochloride (USAN)
Formula
C20H25NO2. HCl
Exact mass
347.1652
Mol weight
347.8789
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Smooth muscle relaxant
Structure map
map07220  Cholinergic and anticholinergic drugs
Other DBs
CAS: 50-42-0
PubChem: 17396930
ChEMBL: CHEMBL555654
LigandBox: D02772
NIKKAJI: J231.457F
LinkDB All DBs
KCF data Show

ATOM        24
            1   X   Cl   26.3106  -10.3748
            2   C1a C    12.2249   -9.4500
            3   C1b C    13.4373   -8.7500
            4   N1c N    14.6497   -9.4500
            5   C1b C    15.8622   -8.7500
            6   C1b C    17.0746   -9.4500
            7   O7a O    18.2870   -8.7500
            8   C7a C    19.4995   -9.4500
            9   C1c C    20.7119   -8.7500
            10  C8y C    21.9244   -9.4500
            11  C8y C    20.7119   -7.3500
            12  C8x C    21.9304   -6.6465
            13  C8x C    21.9304   -5.2465
            14  C8x C    20.7179   -4.5465
            15  C8x C    19.4995   -5.2500
            16  C8x C    19.4995   -6.6500
            17  C8x C    21.9244  -10.8499
            18  C8x C    23.1368  -11.5499
            19  C8x C    24.3492  -10.8499
            20  C8x C    24.3492   -9.4500
            21  C8x C    23.1368   -8.7500
            22  O6a O    19.4995  -10.8497
            23  C1b C    14.6497  -10.8499
            24  C1a C    13.4225  -11.5585
BOND        24
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9     9  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   15  16 2
            15   11  16 1
            16   10  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   10  21 1
            22    8  22 2
            23    4  23 1
            24   23  24 1

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