Basic information
- CAS
125520-62-9- Standard SMILES
N#Cc1c(-c2ccccc2)no[n+]1[O-]- InChIKey
PMYJGTWUVVVOFO-UHFFFAOYSA-N- Molecular formula
- C9H5N3O2
- Average molar mass
- 187.15 g/mol
- Monoisotopic mass
- 187.03817641
Overview
4-phenyl-3-furoxancarbonitrile is a 1,2,5-oxadiazole substituted by an oxido, cyano and phenyl groups at positions 2, 3 and 4, respectively. It is a vasodilator and inhibitor of platelet aggregation. It has a role as a geroprotector, a vasodilator agent, a platelet aggregation inhibitor, a nitric oxide donor and a soluble guanylate cyclase activator. It is a nitrile, a member of benzenes, a N-oxide and a 1,2,5-oxadiazole.
Names & identifiers
- Preferred name
- 4-Phenyl-3-furoxancarbonitrile
- IUPAC
- 2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carbonitrile
- English name
- 4-Phenyl-3-furoxancarbonitrile
- Molecular formula
- C9H5N3O2
- Molecular weight
- 187.15
Names & synonyms
4-phenyl-3-furoxancarbonitrile125520-62-9CHEBI:1804954-Ph-3-FCN4-phenyl-3-furoxan-carbonitrileRefChem:912775118-644-73-CYANO-4-PHENYL-1,2,5-OXADIAZOL-2-IUM-2-OLATECHEMBL336467ML0021,2,5-Oxadiazole-3-carbonitrile, 4-phenyl-, 2-oxide2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carbonitrile
Show more names
Furoxan, RVC-589
3-cyano-4-phenyl-1,2,5-oxadiazole 2-oxidePhenyl-furazancarbonitrile 2-Oxide3-Cyano-4-phenylfurazan 2-oxideRVC-589Lopac-P-1726Lopac0_000926BSPBio_001187KBioGR_000527
Database identifiers
- CAS
125520-62-9- PubChem CID
- 1756
- ChEMBL
CHEMBL336467- ChEBI
CHEBI:180495- EC Number
- 118-644-7
- Nikkaji
- J627.883C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 73 · 73-74°C
- Boiling point
- 415.3 · 415.3±47.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- White solid.
- pka
- -0.84 · -0.84±0.39(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
UsesAble to activate the soluble guanylate cyclase by releasing Nitric Oxide under the action of thiol cofactors. Also inhibits platelet aggregation.
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 4-phenyl-3-furoxancarbonitrile is a 1,2,5-oxadiazole substituted by an oxido, cyano and phenyl groups at positions 2, 3 and 4, respectively. It is a vasodilator and inhibitor of platelet aggregation. It has a role as a geroprotector, a platelet aggregation inhibitor, a soluble guanylate cyclase activator, a vasodilator agent and a nitric oxide donor. It is a nitrile, a N-oxide, a 1,2,5-oxadiazole and a member of benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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