Pentostatin
A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia. — ChEBI
Safety documents & references
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Identity & molecular properties
Source-linked values| CAS number | 53910-25-1 | ChEBI ↗ |
| Molecular formula | C11H16N4O4 | ChEBI ↗ |
| Molar mass | 268.273 g/mol | ChEBI ↗ |
| Monoisotopic mass | 268.11716 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:27834 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 268.27 g/mol | PubChem ↗ |
| Exact mass | 268.11715500 Da | PubChem ↗ |
| Computed XLogP | -2.1 | PubChem ↗ |
| Topological polar surface area (Ų) | 112 | PubChem ↗ |
| H-bond donors | 4 | PubChem ↗ |
| H-bond acceptors | 6 | 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 identifierpentostatin(8R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-olFPVKHBSQESCIEP-JQCXWYLXSA-NOC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1OInChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/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.
Mass ↔ amount of substance
Calculated from sourced massUses 268.273 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.