KEGG   DRUG: Alum, ammoniumHelp
Entry
D02842                      Drug                                   

Name
Alum, ammonium (USP)
Formula
2SO4. 12H2O. Al. NH4
Exact mass
453.0461
Mol weight
453.3286
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: S01XA07
Chemical structure group: DG01150
Product (DG01150): D01724<JP>
Efficacy
Astringent (topical)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA07 Alum
      D02842  Alum, ammonium (USP)
BRITE hierarchy
Other DBs
CAS: 7784-26-1
PubChem: 17396999
LigandBox: D02842
NIKKAJI: J2.515.932B
LinkDB All DBs
KCF data Show

ATOM        24
            1   S4a S    22.3300  -16.7300
            2   O1d O    22.3300  -15.3300
            3   O1d O    22.3300  -18.1300
            4   O1d O    23.7300  -16.7300 #-
            5   O1d O    20.9300  -16.7300 #-
            6   N0  N    27.3785  -15.7415 #+
            7   Z   Al   27.3000  -13.7900 #3+
            8   O0  O    28.9100  -18.2700
            9   S4a S    22.3300  -16.7300
            10  O1d O    22.3300  -18.1300
            11  O1d O    23.7300  -16.7300 #-
            12  O1d O    20.9300  -16.7300 #-
            13  O1d O    22.3300  -15.3300
            14  O0  O    28.9100  -18.2700
            15  O0  O    28.9100  -18.2700
            16  O0  O    28.9100  -18.2700
            17  O0  O    28.9100  -18.2700
            18  O0  O    28.9100  -18.2700
            19  O0  O    28.9100  -18.2700
            20  O0  O    28.9100  -18.2700
            21  O0  O    28.9100  -18.2700
            22  O0  O    28.9100  -18.2700
            23  O0  O    28.9100  -18.2700
            24  O0  O    28.9100  -18.2700
BOND        8
            1     1   3 2
            2     1   4 1
            3     1   5 1
            4     1   2 2
            5     9  10 2
            6     9  11 1
            7     9  12 1
            8     9  13 2
BRACKET     1    19.6700  -19.0400   19.6700  -14.2800
            1    24.8500  -14.2800   24.8500  -19.0400
            1  2
 ORIGINAL  1    1   3   4   5   2
 REPEAT    1    9  10  11  12  13
            2    27.0200  -19.1100   27.0200  -17.2900
            2    29.6100  -17.2900   29.6100  -19.1100
            2  12
 ORIGINAL  2    8
 REPEAT    2   14  15  16  17  18  19  20  21  22  23  24

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