Basic information
- CAS
56611-65-5- Standard SMILES
CCOC(=O)c1c(C)cc2c(CO)n[nH]c(=O)c2c1C- InChIKey
DUQOOLBWGUKRAJ-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Overview
Oxagrelate is a member of phthalazines.
Names & identifiers
- Preferred name
- Oxagrelate
- IUPAC
- ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate
- English name
- Oxagrelate
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
OXAGRELATE56611-65-5OxagrelatoOxagrelatumNSC-305351SC-32840V17MYO89WODTXSID90234696-Phthalazinecarboxylic acid, 3,4-dihydro-1-(hydroxymethyl)-5,7-dimethyl-4-oxo-, ethyl esterRefChem:928340DTXCID503469Phthalazinol
Show more names
EG-626Nsc3053517-Ethoxycarbonyl-1,2-dihydro-4-hydroxymethyl-6,8-dimethylphthalazin-1-one3,4-Dihydro-1-(hydroxymethyl)-5,7-dimethyl-4-oxo-6-phthalazinecarboxylic acid ethyl ester
ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylateMLS003115809ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3,4-dihydrophthalazine-6-carboxylateEthyl 3,4-dihydro-1-(hydroxymethyl)-5,7-dimethyl-4-oxo-6-phthalazinecarboxylateEG 626Oxagrelate [USAN:INN]Oxagrelatum [INN-Latin]Oxagrelato [INN-Spanish]
Database identifiers
- CAS
56611-65-5- PubChem CID
- 41946
- DTXSID
DTXSID9023469- ChEMBL
CHEMBL153427
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Melting point
- 174 °C · 174°C
- Boiling point
- 419.2 °C · 419.2°C (rough estimate)
- Density
- 1.1933 · 1.1933 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 11.86 · 11.86±0.40(Predicted)
- FDA UNII
- 17 MYO89WO · V17MYO89WO
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
Applications
UsesOxagrelate is a new cyclic AMP phosphodiesterase inhibitor that according to biological studies increased femoral, renal, coronary, carotid, vertebral and sagittal blood flows in anesthetized dogs. Oxagrelate is also shown to act as an antiatherosclerotic and antiaggregatory agent.
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Oxagrelate is a member of phthalazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…