KEGG   DRUG: Octinoxate
Entry
D05225                      Drug                                   
Name
Octinoxate (USP/INN);
Octyl methoxycinnamate;
Parsol (TN)
Formula
C18H26O3
Exact mass
290.1882
Mol weight
290.3972
Structure
Remark
ATC code: D02BA02
Efficacy
Ultraviolet screen (UVB absorber)
Comment
cinnamic acid derivative
Component of Shade uvaguard (TN)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D02 EMOLLIENTS AND PROTECTIVES
   D02B PROTECTIVES AGAINST UV-RADIATION
    D02BA Protectives against UV-radiation for topical use
     D02BA02 Octinoxate
      D05225  Octinoxate (USP/INN)
Other DBs
CAS: 5466-77-3
PubChem: 47206944
LigandBox: D05225
NIKKAJI: J210.537C
KCF data

ATOM        21
            1   C8x C    12.3200  -17.5700
            2   C8y C    12.3200  -18.9700
            3   C8x C    13.5324  -19.6700
            4   C8x C    14.7449  -18.9700
            5   C8y C    14.7449  -17.5700
            6   C8x C    13.5324  -16.8700
            7   O2a O    11.1076  -19.6700
            8   C1a C     9.9121  -18.9796
            9   C2b C    15.9760  -16.8590
            10  C2b C    17.1812  -17.5547
            11  C7a C    18.3635  -16.8719
            12  O7a O    19.5575  -17.5612
            13  O6a O    18.3635  -15.4702
            14  C1b C    20.7454  -16.8752
            15  C1c C    21.9365  -17.5629
            16  C1b C    23.1259  -16.8761
            17  C1b C    21.9367  -18.9697
            18  C1a C    23.1291  -19.6583
            19  C1b C    24.3162  -17.5634
            20  C1b C    25.5061  -16.8763
            21  C1a C    26.6962  -17.5635
BOND        21
            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     2   7 1
            8     7   8 1
            9     5   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 1
            18   17  18 1
            19   16  19 1
            20   19  20 1
            21   20  21 1

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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   HSDB (1)   
   NIKKAJI (1)   
All databases (5)   

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