Molsidomine
A member of the class of oxadiazoles that is 1,2,3-oxadiazole substituted by morpholin-4-yl and (ethoxycarbonyl)azanidyl groups at positions 3 and 5, respectively. It is used as a vasodilator drug for the treatment of myocardial ischemic syndrome and congestive heart failure. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 25717-80-0 | ChEBI ↗ |
| Molecular formula | C9H14N4O4 | ChEBI ↗ |
| Molar mass | 242.235 g/mol | ChEBI ↗ |
| Monoisotopic mass | 242.1015 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:31861 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 242.23 g/mol | PubChem ↗ |
| Exact mass | 242.10150494 Da | PubChem ↗ |
| Computed XLogP | 2.2 | PubChem ↗ |
| Topological polar surface area (Ų) | 87 | PubChem ↗ |
| H-bond donors | 0 | PubChem ↗ |
| H-bond acceptors | 7 | PubChem ↗ |
| Rotatable bonds | 4 | 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 identifiermolsidomineN-(ethoxycarbonyl)-3-(morpholin-4-yl)-1,2,3-oxadiazol-3-ium-5-aminideXLFWDASMENKTKL-UHFFFAOYSA-NCCOC(=O)[N-]c1c[n+](N2CCOCC2)no1InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3Names & 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 242.235 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.