KEGG   DRUG: NeltenexineHelp
Entry
D07382                      Drug                                   

Name
Neltenexine (INN)
Formula
C18H20Br2N2O2S
Exact mass
485.9612
Mol weight
488.2366
Structure
Mol fileKCF fileDB search
Remark
ATC code: R05CB14
Efficacy
Mucolytic
Comment
Bromhexine derivative
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05C EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
    R05CB Mucolytics
     R05CB14 Neltenexine
      D07382  Neltenexine (INN)
BRITE hierarchy
Other DBs
CAS: 99453-84-6
PubChem: 51091718
ChEMBL: CHEMBL2106972
LigandBox: D07382
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    20.1835  -17.5719
            2   C1x C    21.3775  -18.2612
            3   C1x C    22.5899  -17.5612
            4   C1y C    22.5899  -16.1612
            5   C1x C    21.3959  -15.4719
            6   C1x C    20.1835  -16.1719
            7   C8y C    14.1400  -18.2700
            8   C8x C    14.1400  -19.6700
            9   C8y C    15.3524  -20.3700
            10  C8y C    16.5649  -19.6700
            11  C8y C    16.5649  -18.2700
            12  C8x C    15.3524  -17.5700
            13  X   Br   12.9276  -17.5700
            14  C1b C    17.7960  -17.5590
            15  N1b N    19.0012  -18.2547
            16  N1b N    17.7960  -20.3810
            17  C5a C    17.7960  -21.7810
            18  O5a O    16.5765  -22.4852
            19  C8y C    18.9917  -22.4713
            20  S2x S    19.1377  -23.8599
            21  C8x C    20.5035  -24.1502
            22  C8x C    21.2016  -22.9410
            23  C8x C    20.2673  -21.9033
            24  O1a O    23.8134  -15.4546
            25  X   Br   15.3524  -21.7698
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13    7  13 1
            14   11  14 1
            15   14  15 1
            16   10  16 1
            17   16  17 1
            18   17  18 2
            19   17  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   19  23 2
            25    1  15 1 #Up
            26    4  24 1 #Down
            27    9  25 1

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