KEGG   DRUG: Pirtenidine hydrochloride
Entry
D05518                      Drug                                   
Name
Pirtenidine hydrochloride (USAN)
Formula
C21H38N2. HCl
Exact mass
354.2802
Mol weight
355.00
Structure
Simcomp
Efficacy
Anti-infective (dental)
Comment
Antigingivitis
Other DBs
CAS: 100227-05-2
PubChem: 47207187
LigandBox: D05518
NIKKAJI: J327.968E
LinkDB
KCF data

ATOM        24
            1   X   Cl   37.2739  -17.9867
            2   C8x C    23.4813  -17.5474
            3   C8x C    23.4813  -18.8800
            4   C8y C    24.6354  -19.5463
            5   C8x C    25.7895  -18.8800
            6   C8x C    25.7895  -17.5474
            7   N4y N    24.6354  -16.8811
            8   C1b C    24.6354  -15.5487
            9   N2b N    24.6354  -20.8788
            10  C1b C    25.7734  -21.5359
            11  C1b C    25.8551  -14.8446
            12  C1b C    27.0466  -15.5327
            13  C1b C    28.2359  -14.8461
            14  C1b C    29.4262  -15.5335
            15  C1b C    30.6162  -14.8465
            16  C1b C    31.8061  -15.5337
            17  C1a C    32.9962  -14.8466
            18  C1b C    26.9655  -20.8481
            19  C1b C    28.1711  -21.5447
            20  C1b C    29.3538  -20.8623
            21  C1b C    30.5471  -21.5519
            22  C1b C    31.7359  -20.8660
            23  C1b C    32.9260  -21.5538
            24  C1a C    34.1164  -20.8669
BOND        23
            1     2   3 2
            2     3   4 1
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     2   7 1
            7     7   8 1
            8     4   9 2
            9     9  10 1
            10    8  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   10  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1

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