Basic information
- CAS
3447-95-8- Standard SMILES
Cc1c(C(C)OC(=O)CCC(=O)O)oc2ccc(C3=CC(=O)OC3)cc12- InChIKey
URIZBPYQIRFMBF-UHFFFAOYSA-N- Molecular formula
- C19H18O7
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.10525291
Names & identifiers
- Preferred name
- Benfurodil Hemisuccinate
- IUPAC
- 4-[1-[3-methyl-5-(5-oxo-2H-furan-3-yl)-1-benzofuran-2-yl]ethoxy]-4-oxobutanoic acid
- English name
- benfurodil hemisuccinate
- Molecular formula
- C19H18O7
- Molecular weight
- 358.34
Names & synonyms
Benfurodil hemisuccinate3447-95-8EudilatBenfurodili hemisuccinasCB 4091Hemisuccinate de benfurodil4091 C.B.Y4Z8D13662DTXSID408631764091-CBCB-40914091 C.B
Show more names
CB40914091C.B.BenfurodilButanedioic acid, 1-[1-[5-(2,5-dihydro-5-oxo-3-furanyl)-3-methyl-2-benzofuranyl]ethyl] esterButanedioic acid hydrogen 1-[1-[5-(2,5-dihydro-5-oxofuran-3-yl)-3-methyl-2-benzofuryl]ethyl] ester
benfurodil emisuccinatoRefChem:116993DTXCID60811836222-367-8hemisuccinato de benfurodilBenzofurodil4-[1-[3-methyl-5-(5-oxo-2H-furan-3-yl)-1-benzofuran-2-yl]ethoxy]-4-oxobutanoic acidEucilat
Database identifiers
- CAS
3447-95-8- PubChem CID
- 71817
- DTXSID
DTXSID40863176- ChEMBL
CHEMBL2105944- UNII
- Y4Z8D13662
- EC Number
- 222-367-8
- Nikkaji
- J8.655J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 611
Physicochemical properties
- Melting point
- 144 ° · 144°
- Boiling point
- 611.1 · 611.1±55.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 4.35 · 4.35±0.17(Predicted)
- FDA UNII
- 4 Z8D13662 · Y4Z8D13662
- Toxicity
- 50 in · LD50 in mice: 550 mg/kg orally (Schmitt)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice: 550 mg/kg orally (Schmitt)
Chemistry & industry
Applications
UsesBenzofurodil is a cardiotonic, which is used for the chronic treatment of congestive heart failure.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [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）4008200310 15002144251 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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