loading...| Preferred Name |
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|
| Synonyms |
1,7-dihydro-6H-purine-6-thione mercaptopurine Mercaptopurine 6-Thioxopurine 6 MP mercaptopurinum 6-Mercaptopurine 6-Thiohypoxanthine Mercapurin Purinethol 6-MP Mercaptopurina Puri-Nethol |
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| Definitions |
A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50667 |
|
| charge |
0 |
|
| database_cross_reference |
PDBeChem:PM6 Reaxys:132916 PMID:28301625 PMID:28166217 PMID:28484608 PMID:28212467 Beilstein:132916 PMID:28406092 DrugBank:DB01033 Patent:US2721866 CAS:50-44-2 Patent:US2697709 PMID:16267626 PMID:28011186 PMID:28574837 PMID:28418010 PMID:28295989 KEGG:C02380 KEGG:D04931 |
|
| definition |
A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis. |
|
| formula |
C5H4N4S |
|
| has_exact_synonym |
1,7-dihydro-6H-purine-6-thione mercaptopurine Mercaptopurine |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
6-Thioxopurine 6 MP mercaptopurinum 6-Mercaptopurine mercaptopurine 6-Thiohypoxanthine Mercapurin Purinethol 6-MP Mercaptopurina Puri-Nethol |
|
| id |
CHEBI:50667 |
|
| in_subset | ||
| inchi |
InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) |
|
| inchikey |
GLVAUDGFNGKCSF-UHFFFAOYSA-N |
|
| label |
mercaptopurine |
|
| mass |
152.17822 |
|
| monoisotopicmass |
152.01567 |
|
| notation |
CHEBI:50667 |
|
| smiles |
S=c1[nH]cnc2nc[nH]c12 |
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| subClassOf |