Drug Information
| General Information | ||||||
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| Drug ID |
DR00871
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| Drug Name |
6-Benzylthioinosine
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| Synonyms |
6-(benzylsulfanyl)-9-pentofuranosyl-9h-purine; 6-Benzylthioinosine; 6-Benzylthionebularine; 6-Benzylthiopurine ribonucleoside; 6165/3/3; 9H-Purine, 6-((phenylmethyl)thio)-9-beta-D-ribofuranosyl-; 9H-Purine, 6-(benzylthio)-9-.beta.-D-ribofuranosyl-; 9H-Purine, 6-(benzylthio)-9-beta-D-ribofuranosyl- (8CI); AC1L3TX3; AC1Q4YP0; AI3-50272; BDBM50159129; CHEMBL178704; CTK5B3520; ChEMBL_299712; Inosine,6-S-(phenylmethyl)-6-thio- (9CI); MLS002702829; NCI60_002098; NSC 26273; NSC-26273; NSC26273; SCHEMBL15427008; SMR001566656; cid_95263
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| Drug Type |
Small molecular drug
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| Structure |
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| 3D MOL | 2D MOL | |||||
| Formula |
C17H18N4O4S
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| Canonical SMILES |
C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O
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| InChI |
InChI=1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2
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| InChIKey |
OMJRXFOHHLLDFR-UHFFFAOYSA-N
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| Pharmaceutical Properties | Molecular Weight | 374.4 | Topological Polar Surface Area | 139 | ||
| Heavy Atom Count | 26 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
1.6
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| PubChem CID | ||||||
| TTD Drug ID | ||||||
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