Basic information
- CAS
79600-96-7- Standard SMILES
O=C(O)[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1- InChIKey
SAOHCSVJQIAGDD-HNNXBMFYSA-N- Molecular formula
- C16H16ClNO2
- Average molar mass
- 289.75 g/mol
- Monoisotopic mass
- 289.08695643
Overview
elevates HDL-cholesterol in rats; structure given in first source
Names & identifiers
- Preferred name
- Brl 26314
- IUPAC
- (2S)-2-[(4-chlorophenyl)methylamino]-3-phenylpropanoic acid
- English name
- BRL 26314
- Molecular formula
- C16H16ClNO2
- Molecular weight
- 289.76
Names & synonyms
Brl 2631479600-96-7N-(para-Chlorobenzyl)-L-phenylalanineBrl-26314L-Phenylalanine, N-((4-chlorophenyl)methyl)-RefChem:121452(2S)-2-[(4-chlorophenyl)methylamino]-3-phenylpropanoic acidorb1698029SCHEMBL11342559DTXSID301000618AKOS040750911N-[(4-Chlorophenyl)methyl]phenylalanine
Show more names
L-Phenylalanine, N-[(4-chlorophenyl)methyl]-L-2-(4-chlorobenzyl)amino-3-phenylpropionic acid
N-[(4-Chlorophenyl)methyl]-L-phenylalanineT30588
Database identifiers
- CAS
79600-96-7- PubChem CID
- 133237
- DTXSID
DTXSID301000618
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 229 · 229-230 °C
- Boiling point
- 444.1 · 444.1±40.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 2.13 · 2.13±0.10(Predicted)
Chemistry & industry
Applications
DescriptionBrl 26314 elevates HDL-cholesterol in rats.
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [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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