KEGG   DRUG: Trioxsalen
Entry
D01034                      Drug                                   
Name
Trioxsalen (USP);
Trioxysalen (JAN/INN);
Trisoralen (TN)
Formula
C14H12O3
Exact mass
228.0786
Mol weight
228.2433
Structure
Simcomp
Remark
Same as: C09314
ATC code: D05AD01 D05BA01
Efficacy
Pigmentation agent
Comment
Psoralen derivative
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  Trioxsalen (USP)
   D05B ANTIPSORIATICS FOR SYSTEMIC USE
    D05BA Psoralens for systemic use
     D05BA01 Trioxysalen
      D01034  Trioxsalen (USP)
Other DBs
CAS: 3902-71-4
PubChem: 7848097
ChEBI: 28329
LigandBox: D01034
NIKKAJI: J3.411H
KCF data

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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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (6)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (8)   

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