KEGG   DRUG: MethoxsalenHelp
Entry
D00139                      Drug                                   

Name
Methoxsalen (JP17/USP);
Oxsoralen (TN);
UVADEX (TN)
Product
  Generic
Formula
C12H8O4
Exact mass
216.0423
Mol weight
216.1895
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cyp inhibitor
 DG01525  CYP2A6 inhibitor
Remark
Same as: C01864
Therapeutic category: 2699
ATC code: D05AD02 D05BA02
Product: D00139<JP/US>
Efficacy
Antivitiligo, Pigmentation agent
  Disease
Psoriasis [DS:H01656]
Comment
Psoralen derivative
Interaction
CYP inhibition: CYP2A6 [HSA:1548]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05A ANTIPSORIATICS FOR TOPICAL USE
    D05AD Psoralens for topical use
     D05AD02 Methoxsalen
      D00139  Methoxsalen (JP17/USP) <JP/US>
   D05B ANTIPSORIATICS FOR SYSTEMIC USE
    D05BA Psoralens for systemic use
     D05BA02 Methoxsalen
      D00139  Methoxsalen (JP17/USP) <JP/US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Methoxsalen
   D00139  Methoxsalen (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   269  Miscellaneous
    2699  Others
     D00139  Methoxsalen (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00139  Methoxsalen
BRITE hierarchy
Other DBs
CAS: 298-81-7
PubChem: 7847207
ChEBI: 18358
ChEMBL: CHEMBL416
DrugBank: DB00553
PDB-CCD: 8MO[PDBj]
LigandBox: D00139
NIKKAJI: J2.983A
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    21.0700  -25.2700
            2   C8x C    21.0700  -26.6700
            3   C8x C    22.2824  -27.3700
            4   C8y C    23.4949  -26.6700
            5   C8y C    23.4949  -25.2700
            6   O7x O    22.2824  -24.5700
            7   C8x C    24.7073  -27.3700
            8   C8y C    25.9197  -26.6700
            9   C8y C    25.9197  -25.2700
            10  C8y C    24.7073  -24.5700
            11  C8x C    27.2512  -27.1026
            12  C8x C    28.0741  -25.9700
            13  O2x O    27.2512  -24.8374
            14  O6a O    19.8576  -24.5700
            15  O2a O    24.7073  -23.1700
            16  C1a C    25.9218  -22.4688
BOND        18
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 1
            16    1  14 2
            17   10  15 1
            18   15  16 1

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