Zalcitabine
A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase. — ChEBI
Safety documents & references
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Identity & molecular properties
Source-linked values| CAS number | 7481-89-2 | ChEBI ↗ |
| Molecular formula | C9H13N3O3 | ChEBI ↗ |
| Molar mass | 211.221 g/mol | ChEBI ↗ |
| Monoisotopic mass | 211.09569 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:10101 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 211.22 g/mol | PubChem ↗ |
| Exact mass | 211.09569129 Da | PubChem ↗ |
| Computed XLogP | -1.3 | PubChem ↗ |
| Topological polar surface area (Ų) | 88.2 | PubChem ↗ |
| H-bond donors | 2 | PubChem ↗ |
| H-bond acceptors | 3 | 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 identifierzalcitabine2',3'-dideoxycytidineWREGKURFCTUGRC-POYBYMJQSA-NNc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/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 government4-Amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl］pyrimidine-2-one, (alias Zalcitabine) · 21A3751
| Endpoint | Reported classification |
|---|---|
| Germ cell mutagenicity | Category 2 |
| Carcinogenicity | Category 2 |
| Reproductive toxicity | Category 2, Additional category: Effects on or via lactation |
| Specific target organ toxicity - Repeated exposure | Category 1 (nervous system, pancreas, liver, heart, blood, systemic toxicity) |
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 211.221 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.