KEGG   COMPOUND: C07785Help
Entry
C07785                      Compound                               

Name
Emedastine
Formula
C17H26N4O
Exact mass
302.2107
Mol weight
302.4145
Structure
Mol fileKCF fileDB search
Remark
Same as: D07890
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GX Other antiallergics
     S01GX06 Emedastine
      D07890  Emedastine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Emedastine
    D07890  Emedastine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07890  Emedastine (INN)
BRITE hierarchy
Other DBs
CAS: 87233-61-2
PubChem: 9987
ChEBI: 4779
ChEMBL: CHEMBL594
NIKKAJI: J253.163A
KCF data Show

ATOM        22
            1   C1x C    23.7177  -19.3260
            2   C1x C    22.8758  -18.2166
            3   C1x C    23.2109  -16.8601
            4   N1y N    24.4717  -16.2821
            5   N1y N    25.1232  -19.3512
            6   C1x C    25.7250  -16.9042
            7   C1x C    26.0114  -18.2727
            8   C1a C    25.8012  -20.5757
            9   C8y C    24.4934  -14.9075
            10  N4y N    25.6391  -14.1023
            11  C8y C    25.2275  -12.7639
            12  C8y C    23.8273  -12.7418
            13  N5x N    23.3737  -14.0665
            14  C8x C    25.9464  -11.5628
            15  C8x C    25.2658  -10.2698
            16  C8x C    23.8656  -10.3177
            17  C8x C    23.1467  -11.5186
            18  C1b C    27.0388  -14.1023
            19  C1b C    27.7476  -12.8758
            20  O2a O    29.1132  -12.8764
            21  C1b C    29.8130  -11.6656
            22  C1a C    31.2126  -11.6662
BOND        24
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     5   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    9  13 2
            15   11  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   12  17 2
            20   10  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1

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