Alx 5407
Basic information
- CAS
571147-18-7- Standard SMILES
CN(CC[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1)CC(=O)O- InChIKey
FDORQEIHOKEJNX-HSZRJFAPSA-N- Molecular formula
- C24H24FNO3
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.17402179
Overview
2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid is a member of biphenyls.
Names & identifiers
- Preferred name
- Alx 5407
- IUPAC
- 2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid
- English name
- ALX 5407 HYDROCHLORIDE
- Molecular formula
- C24H24FNO3
- Molecular weight
- 393.45
Names & synonyms
ALX-5407ALX 5407RefChem:915622571147-18-7ALX5407(R)-NFPSCHEMBL180966(R)-N-(3-([1,1'-Biphenyl]-4-yloxy)-3-(4-fluorophenyl)propyl)-N-methylglycine(r)-(n-[3-(4'-fluorophenyl)-3-(4'-phenylphenoxy)propyl])sarcosineTocris-17572-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid(+)-NFPS
Show more names
FDORQEIHOKEJNX-HSZRJFAPSA-NALX 5407 HYDROCHLORIDE USP/EP/BP(R)-2-((3-([1,1,-biphenyl]-4-yloxy)-3-phenylpropyl)(methyl)amino)acetic acidN-[(3R)-3-([1,1'-Biphenyl]-4-yloxy)-3-(4-fluorophenyl)propyl]-N-methylglycineGlycine, N-[(3R)-3-([1,1'-biphenyl]-4-yloxy)-3-(4-fluorophenyl)propyl]-N-methyl-N-[(3R)-3-([1,1'-BIPHENYL]-4-YLOXY)-3-(4-FLUOROPHENYL)PROPYL]-N-METHYLGLYCINE HYDROCHLORIDE([(R)-3-(BIPHENYL-4-YLOXY)-3-(4-FLUORO-PHENYL)-PROPYL]-METHYL-AMINO)-ACETIC ACID HYDROCHLORIDEGLYCINE, N-[(3R)-3-([1,1'-BIPHENYL]-4-YLOXY)-3-(4-FLUOROPHENYL)PROPYL]-N-METHYL-, HYDROCHLORIDEALX5407hydrochloride,N-[(3R)-3-([1,1'-Biphenyl]-4-yloxy)-3-(4-fluorophenyl)propyl]-N-methylglycinehydrochloride
GTPL4618orb3173431SCHEMBL1052569CHEBI:92943DTXSID401025863GLXC-02992GLXC-04338BDBM50149871
Database identifiers
- CAS
571147-18-7- PubChem CID
- 6604909
- DTXSID
DTXSID401025863- ChEMBL
CHEMBL180966- ChEBI
CHEBI:92943- Nikkaji
- J1.679.972F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 572.9 · 572.9±50.0 °C(Predicted)
- Density
- 1.45 · 1.45 (20 ºC)
- storage temp.
- 4 °C · Desiccate at +4°C
- pka
- 2.33 · 2.33±0.10(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid is a member of biphenyls.
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