Dyphylline
An oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs. — ChEBI
Safety documents & references
1 indexed referencesFind a product-specific SDS
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Identity & molecular properties
Source-linked values| CAS number | 479-18-5 | ChEBI ↗ |
| Molecular formula | C10H14N4O4 | ChEBI ↗ |
| Molar mass | 254.246 g/mol | ChEBI ↗ |
| Monoisotopic mass | 254.1015 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:4728 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 254.24 g/mol | PubChem ↗ |
| Exact mass | 254.10150494 Da | PubChem ↗ |
| Computed XLogP | -1.8 | PubChem ↗ |
| Topological polar surface area (Ų) | 98.9 | PubChem ↗ |
| H-bond donors | 2 | PubChem ↗ |
| H-bond acceptors | 5 | PubChem ↗ |
| Rotatable bonds | 3 | 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 identifierdyphylline7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dioneKSCFJBIXMNOVSH-UHFFFAOYSA-NCn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=OInChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3Names & 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 governmentDiprophylline · 24A6025
| Endpoint | Reported classification |
|---|---|
| Acute toxicity （Oral） | Category 4 |
| Specific target organ toxicity - Single exposure | Category 1 (cardiovascular system) |
| Specific target organ toxicity - Repeated exposure | Category 1 (cardiovascular system) |
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 254.246 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.