KEGG   DRUG: Tibezonium iodide
Entry
D02712                      Drug                                   
Name
Tibezonium iodide (INN)
Formula
C28H32N3S2. I
Exact mass
601.1082
Mol weight
601.6083
Structure
Remark
ATC code: A01AB15
Efficacy
Antiseptic
Structure map
map07117  Benzodiazepine family
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB15 Tibezonium iodide
      D02712  Tibezonium iodide (INN)
Other DBs
CAS: 54663-47-7
PubChem: 17396879
LigandBox: D02712
NIKKAJI: J327.765H
KCF data

ATOM        34
            1   C8y C     5.2140  -26.1100
            2   N2x N     6.4611  -25.4829
            3   C2y C     7.7369  -26.0609
            4   C1x C     8.0762  -27.4090
            5   C8y C     4.9325  -27.4906
            6   C2y C     7.2341  -28.5306
            7   N2x N     5.8331  -28.5630
            8   C8x C     4.1659  -25.1819
            9   C8x C     2.8380  -25.6255
            10  C8x C     2.5565  -27.0061
            11  C8x C     3.6047  -27.9342
            12  C8y C     8.7151  -24.9036
            13  C8x C     9.8958  -25.6130
            14  C8x C    11.1203  -24.9342
            15  C8y C    11.1446  -23.5344
            16  C8x C     9.9638  -22.8251
            17  C8x C     8.7394  -23.5039
            18  S2a S    12.3424  -22.8200
            19  C8y C    13.5549  -23.5200
            20  C8x C    13.5549  -24.9198
            21  C8x C    14.7673  -25.6198
            22  C8x C    15.9797  -24.9198
            23  C8x C    15.9797  -23.5200
            24  C8x C    14.7673  -22.8200
            25  S2a S     7.8813  -29.7885
            26  C1b C     9.2813  -29.7885
            27  C1b C    10.0019  -31.0371
            28  N1d N    11.4019  -31.0371 #+
            29  C1a C    12.8019  -31.0371
            30  C1b C    11.4019  -29.6371
            31  C1b C    11.4019  -32.4371
            32  C1a C    12.6322  -28.9271
            33  C1a C    10.2072  -33.1265
            34  X   I    16.4500  -29.1900 #-
BOND        36
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     1   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    5  11 1
            13    3  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   15  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   19  24 2
            28    6  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 1
            34   28  31 1
            35   30  32 1
            36   31  33 1

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Ontology (1)   
   KEGG BRITE (1)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (5)   

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