5-azacytidine
An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a β-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia. — ChEBI
Safety documents & references
1 indexed referencesFind a product-specific SDS
Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.
Identity & molecular properties
Source-linked values| CAS number | 320-67-2 | ChEBI ↗ |
| Molecular formula | C8H12N4O5 | ChEBI ↗ |
| Molar mass | 244.207 g/mol | ChEBI ↗ |
| Monoisotopic mass | 244.08077 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:2038 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 244.20 g/mol | PubChem ↗ |
| Exact mass | 244.08076950 Da | PubChem ↗ |
| Computed XLogP | -2.2 | PubChem ↗ |
| Topological polar surface area (Ų) | 141 | PubChem ↗ |
| H-bond donors | 4 | PubChem ↗ |
| H-bond acceptors | 5 | PubChem ↗ |
| Rotatable bonds | 2 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifier5-azacytidine4-amino-1-beta-D-ribofuranosyl-1,3,5-triazin-2(1H)-oneNMUSYJAQQFHJEW-KVTDHHQDSA-NNc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Safety classification · Japan
NITE / Japanese government5-Azacytidine · 34
| Endpoint | Reported classification |
|---|---|
| Acute toxicity （Oral） | Category 4 |
| Germ cell mutagenicity | Category 2 |
| Carcinogenicity | Category 1B |
| Reproductive toxicity | Category 1B |
| Specific target organ toxicity - Repeated exposure | Category 1 (blood system, liver) |
Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.
Read the original NITE classificationMass ↔ amount of substance
Calculated from sourced massUses 244.207 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCONHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.