KEGG   DRUG: Octocrylene
Entry
D05227                      Drug                                   
Name
Octocrylene (USP);
Octocrilene (INN)
Formula
C24H27NO2
Exact mass
361.2042
Mol weight
361.48
Structure
Efficacy
Ultraviolet screen
Comment
Component of Anthelios SX (TN)
Other DBs
CAS: 6197-30-4
PubChem: 47206946
LigandBox: D05227
NIKKAJI: J8.358E
LinkDB
KCF data

ATOM        27
            1   C8x C    15.3300  -21.2100
            2   C8x C    15.3300  -22.6100
            3   C8x C    16.5424  -23.3100
            4   C8x C    17.7549  -22.6100
            5   C8y C    17.7549  -21.2100
            6   C8x C    16.5424  -20.5100
            7   C8x C    20.1797  -22.6100
            8   C8y C    20.1797  -21.2100
            9   C2c C    18.9673  -20.5100
            10  C8x C    21.3922  -23.3100
            11  C8x C    22.6046  -22.6100
            12  C8x C    22.6046  -21.2100
            13  C8x C    21.3922  -20.5100
            14  C2c C    18.9673  -19.1100
            15  C7a C    20.1818  -18.4088
            16  C3b C    17.7569  -18.4112
            17  N3a N    16.5445  -17.7112
            18  O7a O    21.3783  -19.0998
            19  O6a O    20.1818  -17.0102
            20  C1b C    22.5651  -18.4146
            21  C1c C    23.7566  -19.1028
            22  C1b C    24.9460  -18.4161
            23  C1b C    23.7566  -20.5097
            24  C1a C    24.9490  -21.1984
            25  C1b C    26.1362  -19.1035
            26  C1b C    27.3262  -18.4165
            27  C1a C    28.5160  -19.1037
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 2
            16   14  15 1
            17   14  16 1
            18   16  17 3
            19   15  18 1
            20   15  19 2
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 1
            25   23  24 1
            26   22  25 1
            27   25  26 1
            28   26  27 1

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