KEGG   DRUG: AlmitrineHelp
Entry
D07126                      Drug                                   

Name
Almitrine (INN)
Formula
C26H29F2N7
Exact mass
477.2453
Mol weight
477.5522
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: R07AB07
Chemical structure group: DG01120
Efficacy
Respiratory stimulant
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R07 OTHER RESPIRATORY SYSTEM PRODUCTS
   R07A OTHER RESPIRATORY SYSTEM PRODUCTS
    R07AB Respiratory stimulants
     R07AB07 Almitrine
      D07126  Almitrine (INN)
BRITE hierarchy
Other DBs
CAS: 27469-53-0
PubChem: 51091465
ChEBI: 53778
ChEMBL: CHEMBL1183717
DrugBank: DB01430
LigandBox: D07126
NIKKAJI: J10.730A
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8x C    14.8400  -18.7600
            2   C8y C    14.8400  -20.1600
            3   C8x C    16.0524  -20.8600
            4   C8x C    17.2649  -20.1600
            5   C8y C    17.2649  -18.7600
            6   C8x C    16.0524  -18.0600
            7   C1c C    18.4960  -18.0490
            8   C8y C    19.7012  -18.7447
            9   N1y N    18.4957  -16.6601
            10  C8x C    19.7016  -20.1596
            11  C8x C    20.9142  -20.8593
            12  C8y C    22.1265  -20.1589
            13  C8x C    22.1260  -18.7439
            14  C8x C    20.9134  -18.0443
            15  C1x C    19.6962  -15.9666
            16  C1x C    19.6959  -14.5666
            17  N1y N    18.4833  -13.8669
            18  C1x C    17.2828  -14.5604
            19  C1x C    17.2831  -15.9604
            20  C8y C    18.4829  -12.4600
            21  N5x N    19.6930  -11.7610
            22  C8y C    19.6927  -10.3610
            23  N5x N    18.4801   -9.6613
            24  C8y C    17.2700  -10.3603
            25  N5x N    17.2703  -11.7603
            26  N1b N    20.8882   -9.6702
            27  C1b C    22.0753  -10.3551
            28  C2b C    23.2663   -9.6668
            29  C2a C    24.4563  -10.3533
            30  N1b N    16.0724   -9.6691
            31  C1b C    14.8848  -10.3551
            32  C2b C    13.6933   -9.6674
            33  C2a C    12.5043  -10.3543
            34  X   F    13.6276  -20.8600
            35  X   F    23.3347  -20.8560
BOND        38
            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     7   9 1
            10    8  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    8  14 1
            16    9  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21    9  19 1
            22   17  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   20  25 2
            29   22  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 2
            33   24  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 2
            37    2  34 1
            38   12  35 1

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