Overview
AICAR is listed in PubChem as Acadesine (CID 17513), with the molecular formula C9H14N4O5 and a molecular weight of 258.23 g/mol. Other names in PubChem include AICA riboside, AICA ribonucleoside, AICA ribofuranoside, Z-riboside, GP-1-110. It is supplied as a lyophilized powder in sealed 50 mg vials.
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Molecular profile
| PubChem name | Acadesine |
|---|---|
| Also known as (PubChem) | AICA riboside, AICA ribonucleoside, AICA ribofuranoside, Z-riboside, GP-1-110 |
| Molecular formula | C9H14N4O5 |
| Molecular weight | 258.23 g/mol |
| CAS number | 2627-69-2 |
| PubChem CID | 17513 |
Computed properties (PubChem)
| Exact mass | 258.0964 Da |
|---|---|
| Monoisotopic mass | 258.0964 Da |
| XLogP3 | −2.2 |
| Topological polar surface area | 157 Ų |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 330 |
| Defined stereocenters | 4 of 4 |
Experimental properties (PubChem)
| Melting point | 213 °C (decomposes) |
|---|
Identifiers (PubChem)
| InChIKey | RTRQQBHATOEIAF-UUOKFMHZSA-N |
|---|---|
| SMILES | C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N |
| UNII | 53IEF47846 |
| ChEMBL ID | CHEMBL1551724 |
IUPAC name (PubChem)
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
Source: PubChem compound 17513