KEGG   DRUG: D00161Help
Entry
D00161                      Drug                                   

Name
Mercaptopurine hydrate (JP16);
Mercaptopurine (USP);
Purinethol (TN)
Product
  Generic
Formula
C5H4N4S. H2O
Exact mass
170.0262
Mol weight
170.1923
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic [DS:H00004]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Interaction
Genomic biomarker: TPMT [HSA:7172]
Drug interaction
Structure map
Antineoplastics - antimetabolic agents
Immunosuppressive agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BB Purine analogues
     L01BB02 Mercaptopurine
      D00161  Mercaptopurine hydrate (JP16); Mercaptopurine (USP)
USP drug classification [BR:br08302]
 Antineoplastics
  Antimetabolites
   Mercaptopurine
    D00161  Mercaptopurine hydrate (JP16); Mercaptopurine (USP)
 Immunological Agents
  Immune Suppressants
   6-Mercaptopurine
    D00161  Mercaptopurine hydrate (JP16); Mercaptopurine (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   422  Antimetabolites
    4221  Mercaptopurines
     D00161  Mercaptopurine hydrate (JP16); Mercaptopurine (USP)
Antineoplastics [BR:br08308]
 Antimetabolites
  Purine analogs
   Mercaptopurine
    D00161  Mercaptopurine hydrate (JP16); Mercaptopurine (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00161  Mercaptopurine hydrate
BRITE hierarchy
Other DBs
CAS: 
6112-76-1
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        11
            1   O0  O    27.8600  -17.0568
            2   C8y C    22.6100  -16.9400
            3   C8y C    22.6100  -18.3400
            4   C8y C    23.8000  -16.2400
            5   N4x N    23.8000  -19.0400
            6   N5x N    24.9900  -16.9400
            7   S0  S    23.8000  -14.8400
            8   C8x C    24.9900  -18.3400
            9   N4x N    21.2100  -16.4500
            10  C8x C    20.4400  -17.6400
            11  N5x N    21.2100  -18.7600
BOND        11
            1     2   3 2
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     4   7 2
            6     5   8 1
            7     6   8 2
            8     2   9 1
            9     9  10 1
            10   10  11 2
            11    3  11 1

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