Basic information
- CAS
79700-63-3- Standard SMILES
C#CC(C)(OCC(COCC(C)C)N1CCCC1)c1ccccc1- InChIKey
BFXRCMJRKTUNIQ-UHFFFAOYSA-N- Molecular formula
- C21H31NO2
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.23547923
Names & identifiers
- Preferred name
- Fronepidil
- IUPAC
- 1-[1-(2-methylpropoxy)-3-(2-phenylbut-3-yn-2-yloxy)propan-2-yl]pyrrolidine
- English name
- Fronepidil
- Molecular formula
- C21H31NO2
- Molecular weight
- 329.481
Names & synonyms
Fronepidil79700-63-3Fronepidil [INN]UNII-94JPL25DUK94JPL25DUK1-(1-(Isobutoxymethyl)-2-((1-methyl-1-phenyl-2-propynyl)oxy)ethyl)pyrrolidinefronepidilumRefChem:1415501-[1-(2-methylpropoxy)-3-(2-phenylbut-3-yn-2-yloxy)propan-2-yl]pyrrolidineSCHEMBL2109579CHEMBL2105065DTXSID40868540
Show more names
NS00120376Q272716921-(1-(Isobutoxymethyl)-2-((1-methyl-1-phenyl-2-propynyl)oxy)ethyl)pyrrolidene.1-{1-(2-methylpropoxy)-3-[(2-phenylbut-3-yn-2-yl)oxy]propan-2-yl}pyrrolidine
Database identifiers
- CAS
79700-63-3- PubChem CID
- 219076
- DTXSID
DTXSID40868540- ChEMBL
CHEMBL2105065- UNII
- 94JPL25DUK
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- FDA UNII
- 94 JPL25DUK · 94JPL25DUK
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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