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3-deazaneplanocin · CAS 102052-95-9 · C12H14N4O3. UNII 544SH4020S.
| CAS Registry Number | 102052-95-9 |
|---|---|
| PubChem CID | 73087 |
| Molecular formula | C12H14N4O3 |
| IUPAC name | (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol |
| UNII (FDA) | 544SH4020S |
| Molecular Weight | 262.26 |
|---|---|
| XLogP3 | -1.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 262.10659032 |
| Monoisotopic Mass | 262.10659032 |
| Topological Polar Surface Area | 117 |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Reported hazard statements | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
3-Deazaneplanocin; 102052-95-9; 3-Deaza-neplanocin; 544SH4020S; DTXSID30144562; RefChem:93619; DTXCID5067053; (1s,2r,5r)-5-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; 3-Deazaneplanocin-A; CHEMBL154745; AKOS005146283; (1S,2R,5R)-5-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)-3-cyclopentene-1,2-diol; CS-0357; 3-Deazaneplanocin,DZNep; 3-Cyclopentene-1,2-diol, 5-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-
CAS 102052-95-9; molecular formula C12H14N4O3; molecular weight — g/mol.
3-Deazaneplanocin, 102052-95-9, 3-Deaza-neplanocin, 544SH4020S, DTXSID30144562, RefChem:93619.
Hazard statements reported: H302, H315, H319, H335.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.