KEGG   COMPOUND: C07624
Entry
C07624                      Compound                               
Name
Abacavir
Formula
C14H18N6O
Exact mass
286.1542
Mol weight
286.3323
Structure
Remark
Same as: D07057
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
     J05AF06 Abacavir
      D07057  Abacavir (INN)
Drug groups [BR:br08330]
 Antiviral
  DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
   DG00660  Abacavir
    D07057  Abacavir
  DG03107  Anti-HIV agent
   DG01656  HIV reverse transcriptase inhibitor
    DG00660  Abacavir
     D07057  Abacavir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D07057  Abacavir (INN)
Other DBs
CAS: 136470-78-5
PubChem: 9826
ChEBI: 421707
PDB-CCD: 1KX[PDBj]
NIKKAJI: J825.172J
KCF data

ATOM        21
            1   C8y C    25.4800  -16.8700
            2   C8y C    25.4800  -18.3400
            3   C8y C    26.6700  -16.1700
            4   N5x N    24.2900  -16.3800
            5   N4y N    24.2200  -18.7600
            6   N5x N    26.6700  -19.1100
            7   N1b N    26.6700  -14.8400
            8   N5x N    27.9300  -16.9400
            9   C8x C    23.4500  -17.5000
            10  C1y C    23.1000  -19.6700
            11  C8y C    27.9300  -18.4100
            12  C1y C    27.9300  -14.1400
            13  C1x C    21.9100  -18.9000
            14  C2x C    22.6800  -21.0000
            15  N1a N    29.1200  -19.1800
            16  C1x C    29.3300  -14.2100
            17  C1x C    28.6300  -12.9500
            18  C1y C    20.8600  -19.6700
            19  C2x C    21.3500  -21.0000
            20  C1b C    19.5300  -19.3200
            21  O1a O    18.4800  -20.1600
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9    10   5 1 #Up
            10    6  11 2
            11    7  12 1
            12   10  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 2
            19   18  20 1 #Up
            20   20  21 1
            21    5   9 1
            22    8  11 1
            23   16  17 1
            24   18  19 1

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