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)
BRITE hierarchy
Other DBs
CAS: 
3902-71-4
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8y C     7.7000  -13.4400
            2   C8y C     7.7000  -14.8400
            3   O7x O     8.9124  -15.5400
            4   C8y C    10.1249  -14.8400
            5   C8x C    10.1249  -13.4400
            6   C8y C     8.9124  -12.7400
            7   C8x C     6.4876  -12.7400
            8   C8y C     5.2751  -13.4400
            9   C8y C     5.2751  -14.8400
            10  C8y C     6.4876  -15.5400
            11  C8x C     3.9436  -13.0074
            12  C8y C     3.1207  -14.1400
            13  O2x O     3.9436  -15.2726
            14  C1a C     1.7500  -14.1400
            15  C1a C     6.4876  -16.9398
            16  O6a O    11.3560  -15.5510
            17  C1a C     8.9124  -11.3402
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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