KEGG   DRUG: Octisalate
Entry
D05226                      Drug                                   
Name
Octisalate (USP/INN);
Octyl salicylate;
Uvinul (TN)
Formula
C15H22O3
Exact mass
250.1569
Mol weight
250.3334
Structure
Simcomp
Efficacy
Ultraviolet screen (absorber)
Other DBs
CAS: 118-60-5
PubChem: 47206945
LigandBox: D05226
NIKKAJI: J82.395C
KCF data

ATOM        18
            1   C8x C    23.2343  -18.7724
            2   C8x C    24.4456  -19.4719
            3   C8x C    25.6514  -18.7754
            4   C8y C    25.6530  -17.3797
            5   C8y C    24.4490  -16.6803
            6   C8x C    23.2361  -17.3768
            7   C7a C    24.4508  -15.2818
            8   O7a O    25.6590  -14.5766
            9   O6a O    23.2369  -14.5737
            10  O1a O    26.8785  -16.6752
            11  C1b C    26.8834  -15.2760
            12  C1c C    28.0970  -14.5680
            13  C1b C    29.2888  -15.2489
            14  C1b C    28.0908  -13.1602
            15  C1b C    30.4717  -14.5587
            16  C1b C    31.6714  -15.2443
            17  C1a C    32.8504  -14.5565
            18  C1a C    29.2846  -12.4638
BOND        18
            1     5   6 2
            2     6   1 1
            3     5   7 1
            4     1   2 2
            5     7   8 1
            6     2   3 1
            7     7   9 2
            8     3   4 2
            9     4   5 1
            10    4  10 1
            11    8  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 1
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   14  18 1

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  All links  
Drug (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (3)   

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