Mercaptopurine
PubChem CID: 667490
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| Compound Synonyms | 6-Mercaptopurine, mercaptopurine, 50-44-2, Purinethol, Mercapurin, 6-Thiopurine, 7H-purine-6-thiol, Mercaleukin, Leukerin, Leupurin, 6-Thioxopurine, Ismipur, Mern, 6-Thiohypoxanthine, 6-Mercaptopurin, Puri-Nethol, 6-Purinethiol, Purinethiol, 6-MP, Purimethol, Purine-6-thiol, 3H-Purine-6-thiol, 9H-Purine-6-thiol, 6 MP, 1,9-dihydro-6H-purine-6-thione, Mercaleukim, Hypoxanthine, thio-, 1,7-Dihydro-6H-purine-6-thione, Mercaptopurine (6-MP), Mercaptopurin, Mercaptopurina, Mercaptopurinum, Merkaptopuryna, Mercaptopurine anhydrous, Purine-6(1H)-thione, 1H-Purine-6(9H)-thione, 3,7-dihydropurine-6-thione, 6-Merkaptopurin, 6H-Purine-6-thione, 1,7-dihydro-, Purine, 6-mercapto-, 9H-Purine-6(1H)-thione, Xaluprine, 7-Mercapto-1,3,4,6-tetrazaindene, Mercaptopurine (anhydrous), 1H-Purine, 6-mercapto-, NSC 755, NCI-C04886, NSC-755, U-4748, CCRIS 2761, HSDB 3235, UNII-PKK6MUZ20G, PKK6MUZ20G, EINECS 200-037-4, 1,9-dihydropurine-6-thione, Purixan, CHEBI:2208, Mercaptopurine, 6-MP, NSC755, DTXSID0020810, Mercaptopurine (INN), 3,7-dihydro-6H-purine-6-thione, Purinethol (TN), 1H-purine-6(7H)-thione., DTXCID00810, CHEBI:50667, 157930-11-5, Mercaptopurine (VAN), Mercaptopurin [German], 6 Mercaptopurine, 6 Thiopurine, Merkaptopuryna [Polish], NSC-759614, 6 Thiohypoxanthine, 6-Merkaptopurin [Czech], MERCAPTOPURINE [INN], Mercaptopurinum [INN-Latin], 6-MERCAPTOPURINE (IARC), 6-MERCAPTOPURINE [IARC], Mercaptopurina [INN-Spanish], Purin-6-thiol, monohydrat, 6-Merkaptopurin, monohydrat, thiohypoxanthine, Purine-6-thiol, monohydrate, UNII-E7WED276I5, 1194-62-3, 6H-Purin-6-thion, monohydrat, MERCAPTOPURINE (MART.), CCRIS 5819, MERCAPTOPURINE (USP-RS), CAS-50-44-2, 6 Mercaptopurine Monohydrate, SMR000544948, Mercaptopurine, 6-, AZATHIOPRINE IMPURITY B (EP IMPURITY), AZATHIOPRINE IMPURITY B [EP IMPURITY], MERCAPTOPURINE (EP IMPURITY), MERCAPTOPURINE (USP MONOGRAPH), 7H-PURINE-6-THIOL MONOHYDRATE, SR-05000001925, 1,7-Dihydro-6H-purin-6-thion, monohydrat, AI3-25013, NCIMech_000025, 9H-Purin-6-yl hydrosulfide, EC 612-090-4, a thiopurine, MERCAPTOPURINE MONOHYDRATE (EP MONOGRAPH), 1,7-dihydro-6H-purine-6-thione hydrate (1:1), 157930-13-7, Mercaptopurine [USAN:USP:INN], 6H-Purine-6-thione, 1,2,3,9-tetrahydro-, hydrate (1:1), MFCD00233552, Azathioprine impurity B, Spectrum_000921, Mercaptopurinum (Latin), Spectrum2_000060, Spectrum3_000491, Spectrum4_000857, Spectrum5_000950, M0063, H-Purine-6(1H)-thione, SCHEMBL3893, CHEMBL1425, 6-Mercaptopurine (Standard), BSPBio_001981, KBioGR_001493, KBioGR_002363, KBioSS_001401, KBioSS_002366, MERCAPTOPURINE [HSDB], AG-670/31547064, MLS001066623, MLS001304020, MLS001304953, MLS006011869, DivK1c_000493, SPECTRUM1500387, SPBio_000219, 6-MERCAPTOPURINE [MI], GTPL7226, SCHEMBL2790086, 7H-Purin-6-yl hydrosulfide #, SCHEMBL12683725, CHEBI:94796, HMS501I15, KBio1_000493, KBio2_001401, KBio2_002363, KBio2_003969, KBio2_004931, KBio2_006537, KBio2_007499, KBio3_001481, KBio3_002842, L01BB02, 7-Mercapto-1,4,6-tetrazaindene, cMAP_000033, NINDS_000493, 6,7-dihydro-3H-purine-6-thione, HMS1920L07, HMS2091B20, HMS2236L06, HMS3259N03, HMS3369M05, HMS3651G07, HMS3713N10, HMS3747A17, HMS3872N13, Pharmakon1600-01500387, DISCONTINUED, see M225450, HGA93013, Tox21_111158, Tox21_202591, BDBM50423778, CCG-35344, CCG-39915, HY-13677R, NSC759614, NSC817004, s1305, SK5357, STK727062, STL257085, 6-Mercaptopurine, analytical standard, WLN: T56 BM DN FN HNJ ISH, AKOS000170222, AKOS000275858, AKOS005224624, AKOS008901311, AKOS016903205, Tox21_111158_1, CCG-266232, CS-1499, DB01033, FM61589, NC00613, NSC-817004, IDI1_000493, MERCAPTOPURINE ANHYDROUS [WHO-DD], NCGC00091641-02, NCGC00091641-03, NCGC00091641-04, NCGC00091641-12, NCGC00091641-16, NCGC00094717-01, NCGC00094717-02, NCGC00094717-03, NCGC00094717-05, NCGC00094717-06, NCGC00188973-01, NCGC00188973-02, NCGC00260139-01, 6,9-DIHYDRO-1H-PURINE-6-THIONE, AC-11464, AS-13109, HY-13677, NCI60_041653, SMR004703503, SBI-0051437.P004, DB-026398, NS00005639, SW199090-2, EN300-61517, A11391, C01756, C02380, D04931, AB00171799_05, AB00641894-03, AB00641894-04, AB00641894_05, AB00876276-13, Q418529, SR-05000001925-1, SR-05000001925-2, BRD-K91601245-001-12-0, BRD-K91601245-001-13-8, purine antimetabolite: inhibits nucleic acid replication, 1,7-Dihydro-6H-purine-6-thione, 3H-Purine-6-thiol, 6-Thioxopurine, 7-Mercapto-1,3,4,6-tetrazaindene, 200-037-4 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00492, n.a., P9WP01, B2RXH2, P68871, Q16637, Q9NUW8, P00352, Q962Y6, Q9F4F7, O97447, P00811, P15428, P04637, O75164, Q92830, Q96KQ7, Q9UIF8, P23219, Q9R1U7, O88909, Q99700, P11308, O75874, Q9NPD5, Q9Y6L6, P14902, O95342, O70199, Q64550, P0C0F4, P08684, P10635, P0DTD1, P10275, Q16236 |
| Iupac Name | 3,7-dihydropurine-6-thione |
| Prediction Hob | 0.0 |
| Target Id | NPT48, NPT2930, NPT93, NPT50, NPT94, NPT151, NPT539, NPT30 |
| Xlogp | 0.0 |
| Molecular Formula | C5H4N4S |
| Prediction Swissadme | 0.0 |
| Inchi Key | GLVAUDGFNGKCSF-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.753 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.309 |
| Compound Name | Mercaptopurine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.016 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.016 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 152.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8212283999999999 |
| Inchi | InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) |
| Smiles | C1=NC2=C(N1)C(=S)N=CN2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Entada Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all