KEGG   DRUG: D01034Help
Entry
D01034                      Drug                                   

Name
Trioxysalen (JAN/INN);
Trioxsalen (USP);
Trisoralen (TN)
Formula
C14H12O3
Exact mass
228.0786
Mol weight
228.2433
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Pigmentation agent
Remark
Same as: 
ATC code: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05A ANTIPSORIATICS FOR TOPICAL USE
    D05AD Psoralens for topical use
     D05AD01 Trioxysalen
      D01034  Trioxysalen (JAN/INN); Trioxsalen (USP)
   D05B ANTIPSORIATICS FOR SYSTEMIC USE
    D05BA Psoralens for systemic use
     D05BA01 Trioxysalen
      D01034  Trioxysalen (JAN/INN); Trioxsalen (USP)
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Coumarins
   D01034  Trioxysalen (JAN/INN); Trioxsalen (USP)
BRITE hierarchy
Other DBs
CAS: 
3902-71-4
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8y C    17.5000  -16.8700
            2   C8y C    17.5000  -15.4700
            3   O7x O    16.3100  -14.7700
            4   C8y C    15.0500  -15.4700
            5   C8x C    15.0500  -16.8700
            6   C8y C    16.3100  -17.5700
            7   C8x C    18.6900  -17.5700
            8   C8y C    19.9500  -16.8700
            9   C8y C    19.9500  -15.4700
            10  C8y C    18.6900  -14.7700
            11  C8x C    21.2800  -17.2900
            12  C8y C    22.0500  -16.1700
            13  O2x O    21.2800  -15.0500
            14  C1a C    23.4500  -16.1700
            15  C1a C    18.6900  -13.3700
            16  O6a O    13.8600  -14.7700
            17  C1a C    16.3100  -18.9700
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 1
            16   12  14 1
            17   10  15 1
            18    4  16 2
            19    6  17 1

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