KEGG   DRUG: HexetidineHelp
Entry
D07068                      Drug                                   

Name
Hexetidine (INN)
Formula
C21H45N3
Exact mass
339.3613
Mol weight
339.6021
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: A01AB12 G01AX16
Efficacy
Antiseptic
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
     A01AB12 Hexetidine
      D07068  Hexetidine (INN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AX Other antiinfectives and antiseptics
     G01AX16 Hexetidine
      D07068  Hexetidine (INN)
BRITE hierarchy
Other DBs
CAS: 141-94-6
PubChem: 51091410
ChEMBL: CHEMBL144673
LigandBox: D07068
NIKKAJI: J5.810F
KCF data Show

ATOM        24
            1   N1y N    21.2100  -16.3800
            2   C1x C    21.2100  -17.7800
            3   C1z C    22.4224  -18.4800
            4   C1x C    23.6349  -17.7800
            5   N1y N    23.6349  -16.3800
            6   C1x C    22.4224  -15.6800
            7   C1a C    21.4424  -19.9498
            8   N1a N    23.3379  -19.8704
            9   C1b C    19.9976  -15.6800
            10  C1c C    18.7851  -16.3800
            11  C1b C    17.5727  -15.6800
            12  C1b C    16.3603  -16.3800
            13  C1b C    15.1478  -15.6800
            14  C1a C    13.9354  -16.3800
            15  C1b C    18.7851  -17.7798
            16  C1a C    17.5539  -18.4908
            17  C1b C    24.8724  -15.6800
            18  C1c C    26.0849  -16.3800
            19  C1b C    27.2973  -15.6800
            20  C1b C    28.5097  -16.3800
            21  C1b C    29.7222  -15.6800
            22  C1a C    30.9346  -16.3800
            23  C1b C    26.0849  -17.7798
            24  C1a C    27.3161  -18.4908
BOND        24
            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     3   7 1
            8     3   8 1
            9     1   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   10  15 1
            16   15  16 1
            17    5  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   18  23 1
            24   23  24 1

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