KEGG   DRUG: Efaproxiral
Entry
D03961                      Drug                                   
Name
Efaproxiral (USAN/INN)
Formula
C20H23NO4
Exact mass
341.1627
Mol weight
341.40
Structure
Simcomp
Remark
ATC code: L01XD06
Chemical structure group: DG00709
Efficacy
Radiosensitizer
Comment
Enhancement of radiation therapy (synthetic allosteric modifier of hemoglobin)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XD Sensitizers used in photodynamic/radiation therapy
     L01XD06 Efaproxiral
      D03961  Efaproxiral (USAN/INN)
Other DBs
CAS: 131179-95-8
PubChem: 47205947
PDB-CCD: RQ3[PDBj]
LigandBox: D03961
LinkDB
KCF data

ATOM        25
            1   C8x C    10.6400  -15.8200
            2   C8y C    10.6400  -17.2200
            3   C8x C    11.8524  -17.9200
            4   C8y C    13.0649  -17.2200
            5   C8x C    13.0649  -15.8200
            6   C8y C    11.8524  -15.1200
            7   C1a C    11.8524  -13.7202
            8   C1a C     9.4276  -17.9200
            9   N1b N    14.2960  -17.9310
            10  C5a C    15.5012  -17.2353
            11  C1b C    16.6835  -17.9181
            12  O5a O    15.5016  -15.8204
            13  C8y C    17.8775  -17.2288
            14  C8x C    19.0654  -17.9148
            15  C8x C    20.2779  -17.2149
            16  C8y C    20.2780  -15.8149
            17  C8x C    19.0901  -15.1289
            18  C8x C    17.8776  -15.8288
            19  O2a O    21.5046  -15.1066
            20  C1d C    22.7118  -15.8036
            21  C6a C    23.8933  -15.1214
            22  O6a O    25.0875  -15.8111
            23  O6a O    23.8933  -13.7202
            24  C1a C    21.7218  -16.7935
            25  C1a C    23.7017  -16.7935
BOND        26
            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     6   7 1
            8     2   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 2
            13   11  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   16  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2
            25   20  24 1
            26   20  25 1

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