KEGG   COMPOUND: C12599Help
Entry
C12599                      Compound                               

Name
Emtricitabine
Formula
C8H10FN3O3S
Exact mass
247.0427
Mol weight
247.2467
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AF Nucleoside and nucleotide reverse transcriptase inhibitors
     J05AF09 Emtricitabine
      D01199  Emtricitabine (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Nucleoside and Nucleotide Reverse Transcriptase Inhibitors (NRTI)v
   Emtricitabine
    D01199  Emtricitabine (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D01199  Emtricitabine (JAN/USAN/INN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Reverse transcriptase inhibitor (RTI)
    Nucleoside and nucleotide reverse transcriptase inhibitor (NRTIs)
     Emtricitabine
      D01199  Emtricitabine (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Transporter inhibitors
  ABCC2
   Emtricitabine
    D01199  Emtricitabine (JAN/USAN/INN)
  ABCC3
   Emtricitabine
    D01199  Emtricitabine (JAN/USAN/INN)
Antivirals [br08351.html]
 D01199
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D01199
BRITE hierarchy
Other DBs
CAS: 
143491-57-0
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   N4y N    30.6385  -20.4256
            2   C1y C    29.4493  -21.1252
            3   C1y C    27.2109  -21.1252
            4   C1b C    25.9518  -20.4256
            5   O1a O    24.7626  -21.1252
            6   S2x S    27.6306  -22.4542
            7   O2x O    28.3301  -20.2857
            8   C1x C    29.0296  -22.4542
            9   C8x C    30.6385  -19.0266
            10  C8y C    31.8276  -18.3271
            11  C8y C    33.0868  -19.0266
            12  N5x N    33.0868  -20.4256
            13  C8y C    31.8976  -21.1252
            14  N1a N    34.2759  -18.3271
            15  X   F    31.8276  -16.9281
            16  O5x O    31.8976  -22.5242
BOND        17
            1     8   6 1
            2     4   5 1
            3     2   1 1 #Down
            4     3   4 1 #Down
            5     6   3 1
            6     1   9 1
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10   12  13 1
            11   13   1 1
            12    3   7 1
            13   11  14 1
            14    7   2 1
            15   10  15 1
            16    2   8 1
            17   13  16 2

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