KEGG   DRUG: Hexamidine
Entry
D07206                      Drug                                   
Name
Hexamidine (INN/BAN)
Formula
C20H26N4O2
Exact mass
354.2056
Mol weight
354.446
Structure
Simcomp
Remark
ATC code: D08AC04 R01AX07 R02AA18 S01AX08 S03AA05
Efficacy
Antiseptic, Disinfectant
Comment
Amidines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AC Biguanides and amidines
     D08AC04 Hexamidine
      D07206  Hexamidine (INN/BAN)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AX Other nasal preparations
     R01AX07 Hexamidine
      D07206  Hexamidine (INN/BAN)
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA18 Hexamidine
      D07206  Hexamidine (INN/BAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AX Other antiinfectives
     S01AX08 Hexamidine
      D07206  Hexamidine (INN/BAN)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA05 Hexamidine
      D07206  Hexamidine (INN/BAN)
Other DBs
CAS: 3811-75-4
PubChem: 51091544
ChEBI: 87184
PDB-CCD: DID[PDBj]
LigandBox: D07206
NIKKAJI: J238.611I
KCF data

ATOM        26
            1   C8x C    20.7900  -17.7100
            2   C8y C    20.7900  -19.1100
            3   C8x C    21.9800  -19.8100
            4   C8x C    23.2400  -19.1100
            5   C8y C    23.2400  -17.7100
            6   C8x C    21.9800  -17.0100
            7   C2c C    19.6000  -19.8100
            8   N1a N    18.4100  -19.1100
            9   N2a N    19.6000  -21.2100
            10  O2a O    24.4524  -17.0100
            11  C1b C    25.6649  -17.7100
            12  C1b C    26.8773  -17.0100
            13  C1b C    28.0897  -17.7100
            14  C1b C    29.3022  -17.0100
            15  C1b C    30.5146  -17.7100
            16  C1b C    31.7270  -17.0100
            17  O2a O    32.9395  -17.7100
            18  C8y C    34.1519  -17.0100
            19  C8x C    35.3704  -17.7135
            20  C8x C    36.5828  -17.0135
            21  C8y C    36.5828  -15.6135
            22  C8x C    35.3643  -14.9100
            23  C8x C    34.1519  -15.6100
            24  C2c C    37.8170  -14.9007
            25  N1a N    39.0207  -15.5956
            26  N2a N    37.8168  -13.5101
BOND        27
            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     2   7 1
            8     7   8 1
            9     7   9 2
            10    5  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25   21  24 1
            26   24  25 1
            27   24  26 2

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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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