KEGG   DRUG: DioxybenzoneHelp
Entry
D03853                      Drug                                   

Name
Dioxybenzone (USP/INN)
Formula
C14H12O4
Exact mass
244.0736
Mol weight
244.2427
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C14283
Efficacy
Ultraviolet screen
Comment
Component of Solaquin forte (TN)
Other DBs
CAS: 131-53-3
PubChem: 17397938
ChEBI: 34208
ChEMBL: CHEMBL1326877
LigandBox: D03853
NIKKAJI: J5.560C
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8x C    38.9200  -18.6200
            2   C8x C    38.9200  -20.0200
            3   C8y C    37.7300  -17.9900
            4   C8x C    37.7300  -20.7200
            5   C8x C    32.9000  -20.7200
            6   C8y C    34.0900  -20.0200
            7   C8x C    31.6400  -18.6200
            8   C8y C    31.6400  -20.0200
            9   C8y C    36.4700  -18.6200
            10  C8y C    34.0900  -18.6200
            11  C8x C    36.4700  -20.0200
            12  C8x C    32.9000  -17.9900
            13  C5a C    35.2800  -17.9900
            14  O5a O    35.2800  -16.5900
            15  O2a O    30.4500  -20.7200
            16  O1a O    37.7300  -16.5900
            17  O1a O    35.2800  -20.7200
            18  C1a C    29.1900  -20.0200
BOND        19
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   9 2
            5     4  11 2
            6     5   6 2
            7     5   8 1
            8     6  10 1
            9     7   8 2
            10    7  12 1
            11    8  15 1
            12    9  11 1
            13    9  13 1
            14   10  12 2
            15   10  13 1
            16   13  14 2
            17    3  16 1
            18    6  17 1
            19   15  18 1

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