KEGG   COMPOUND: C06837Help
Entry
C06837                      Compound                               

Name
Azathioprine
Formula
C9H7N7O2S
Exact mass
277.0382
Mol weight
277.2626
Structure
Mol fileKCF fileDB search
Remark
Same as: D00238
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Brite
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C06837  Azathioprine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AX Other immunosuppressants
     L04AX01 Azathioprine
      D00238  Azathioprine (JP17/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Immune Suppressants
   Azathioprine
    D00238  Azathioprine (JP17/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D00238  Azathioprine (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00238  Azathioprine
  D00238  Azathioprine tablets
Drug classes of therapeutic agents [br08360.html]
 Antirheumatic and antigout agents
  D00238
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D00238
BRITE hierarchy
Other DBs
CAS: 446-86-6
PubChem: 9055
ChEBI: 2948
ChEMBL: CHEMBL1542
NIKKAJI: J2.047H
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    23.5327  -23.0431
            2   C8y C    22.3420  -23.7435
            3   S2a S    23.5327  -21.6423
            4   N5x N    24.7234  -23.7435
            5   C8y C    22.3420  -25.1443
            6   N4x N    21.0112  -23.2532
            7   C8y C    22.3420  -20.9419
            8   C8x C    24.7234  -25.1443
            9   N5x N    21.0112  -25.5645
            10  N5x N    23.5327  -25.8447
            11  C8x C    20.1708  -24.4439
            12  C8y C    22.3420  -19.5411
            13  O3a O    24.7934  -19.5411 #-
            14  N2b N    23.5327  -18.8407 #+
            15  N5x N    21.0112  -19.1209
            16  C8x C    20.1708  -20.2415
            17  N4y N    21.0112  -21.3622
            18  O3a O    23.5327  -17.4399
            19  C1a C    19.7981  -22.0626
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    8  10 2
            12    9  11 2
            13    7  12 2
            14   13  14 1
            15   12  14 1
            16   12  15 1
            17   15  16 2
            18   16  17 1
            19    7  17 1
            20   14  18 2
            21   17  19 1

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