Ro 8-4304
Basic information
- CAS
195988-65-9- Standard SMILES
NC(=O)c1ccc(OCC(O)CN2CC=C(c3ccc(F)cc3)CC2)cc1- InChIKey
HFHFPCVDUCBNLG-UHFFFAOYSA-N- Molecular formula
- C21H23FN2O3
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.16927076
Names & identifiers
- Preferred name
- Ro 8-4304
- IUPAC
- 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide
- English name
- 4-[3-[4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1(2H)-pyridinyl]-2-hydroxypropoxy]benzamidehydrochloride
- Molecular formula
- C21H23FN2O3
- Molecular weight
- 370.42
Names & synonyms
Ro 8-4304195988-65-9DTXSID404747014-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]-2-hydroxypropoxy}benzamide4-(3-(4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl)-2-hydroxypropoxy)benzamideRefChem:179694DTXCID201008140Ro8-4304Hydrochloride4-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamideRo84304Ro-84304Ro-8-4304
Show more names
Ro 8-4304 hydrochlorideBenzaMide, 4-[3-[4-(4-fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl]-2-hydroxypropoxy]-4-[3-[4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1(2H)-pyridinyl]-2-hydroxypropoxy]benzamidehydrochloride
Lopac0_001043GTPL4300orb1220137orb1685381SCHEMBL6021254CHEMBL1257093GLXC-06997AKOS040759403
Database identifiers
- CAS
195988-65-9- PubChem CID
- 9799515
- DTXSID
DTXSID40474701- ChEMBL
CHEMBL1257093- Nikkaji
- J927.943A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Boiling point
- 600.7 · 600.7±55.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- storage temp.
- Desiccate at RT
- pka
- 13.69 · 13.69±0.20(Predicted)
Chemistry & industry
Applications
UsesRo 8-4304 Hydrochloride is a non-competitive NMDA receptor antagonist.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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