Basic information
- CAS
177975-08-5- Standard SMILES
Fc1ccc(-c2cncc(CNCC3CCc4ccccc4O3)c2)cc1- InChIKey
HKFMQJUJWSFOLY-UHFFFAOYSA-N- Molecular formula
- C22H21FN2O
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.16379146
Names & identifiers
- Preferred name
- N-((3,4-Dihydro-2H-1-benzopyran-2-yl)methyl)-5-(4-fluorophenyl)-3-pyridinemethanamine
- IUPAC
- 1-(3,4-dihydro-2H-chromen-2-yl)-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine
- English name
- SARIZOTAN
- Molecular formula
- C22H21FN2O
- Molecular weight
- 348.41
Names & synonyms
177975-08-5N-((3,4-Dihydro-2H-1-benzopyran-2-yl)methyl)-5-(4-fluorophenyl)-3-pyridinemethanamine1-(Chroman-2-yl)-N-((5-(4-fluorophenyl)pyridin-3-yl)methyl)methanamine1-(3,4-dihydro-2H-chromen-2-yl)-N-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamineEMD 77697(-)-(R)-N-(3,4-Dihydro-2H-1-benzofuran-2-ylmethyl)-N-[5-(4-fluorophenyl)-3-pyridylmethyl]amineSCHEMBL311845DTXSID30939016L0015781-(3,4-Dihydro-2H-1-benzopyran-2-yl)-N-{[5-(4-fluorophenyl)pyridin-3-yl]methyl}methanamineSARIZOTANUnii-467lu0ucuw
Show more names
Sarizotan [inn](-)-3-((((R)-2-Chromanylmethyl)amino)methyl)-5-(p-fluorophenyl)pyridine3-Pyridinemethanamine, N-[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-5-(4-fluorophenyl)-
Database identifiers
- CAS
177975-08-5- PubChem CID
- 3058747
- DTXSID
DTXSID30939016- Nikkaji
- J1.575.402H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Boiling point
- 507.7 · 507.7±45.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- pka
- 7.01 · 7.01±0.20(Predicted)
- FDA UNII
- 467 LU0UCUW · 467LU0UCUW
Chemistry & industry
Applications
UsesTreatment—associated dyskinesia in Parkinson’s disease.
Suppliers1 total
北京华美互利生物化工010-56205725 · [email protected]
Related reactions
3 records
Compound notes
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