Thiarabine
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Also Known As: Thio-Cytarabine|4'-Thioaracytidine|T-araC|4-thio-araC|4'-Thio-ara-C|OSI-7836|4 -Thio-ara-C|THIARABINE [WHO-DD]|cytidine, 4'-thio-arabino-|4'-thio-arabinofuranosylcytosine|OSI 7836|GS7836|4'-Thio-1- beta-D-arabinofuranosylcytosine|4'-thio-beta-D-arabinofuranosylcytosine|4 -Thio-beta-D-arabinofuranosylcytosine|2(1H)-Pyrimidinone, 4-amino-1-(4-thio-beta-D-arabinofuranosyl)-|4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one|Cytosine, 1-(4-thio-.beta.-D-arabinofuranosyl)-|J1.303.641A|4'-THIO-1-BETA-D-ARABINOFURANOSYLCYTOSINE|4-Amino-1-(4-thio-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone|4'-THIO-1-.BETA.-D-ARABINOFURANOSYLCYTOSINE|2(1H)-Pyrimidinone, 4-amino-1-(4-thio-.beta.-D-arabinofuranosyl)-|4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl)pyrimidin-2(1H)-one
| Molecular Formula | C9H13N3O4S |
|---|---|
| Molecular Weight | 259.06268 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.06268 |
| Monoisotopic Mass | 259.06268 |
| Heavy Atoms | 17 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 32083-66-2 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)O |
| InChIKey | GAKJJSAXUFZQTL-CCXZUQQUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiarabine (CAS 32083-66-2), with molecular formula C9H13N3O4S and molecular weight 259.06268 g/mol. IUPAC: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one.