(R)-4-(4-((4-Chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic acid
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Basic information
- CAS
190730-41-7- Standard SMILES
O=C(O)CCCN1CCC(O[C@H](c2ccc(Cl)cc2)c2ccccn2)CC1- InChIKey
YWGDOWXRIALTES-OAQYLSRUSA-N- Molecular formula
- C21H25ClN2O3
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.1553704
Names & identifiers
- Preferred name
- (R)-4-(4-((4-Chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic acid
- IUPAC
- 4-[4-[(R)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
- English name
- (R)-Bepotastine
- Molecular formula
- C21H25ClN2O3
- Molecular weight
- 388.89
Names & synonyms
190730-41-7(R)-Bepotastine(R)-4-(4-((4-Chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic acid1-Piperidinebutanoic acid, 4-[(4-chlorophenyl)-2-pyridinylmethoxy]-, (R)-4-[4-[(R)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acidMFCD28502297(R)-4-[4-[(4-Chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl]butanoic AcidBepotastine, (R)-U63K8RVB6YSCHEMBL5151702AC-37999Bepotastine Impurity 6((R)-Bepotastine)
Show more names
Bepotastine Impurity 2 (R)-Bepotastine)(R)-4-(4-((4-chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic acid compound with benzenesulfonic acid (1:1)
BS-48054SY498581NS00069487E738451-Piperidinebutanoic acid, 4-[(R)-(4-chlorophenyl)-2-pyridinylmethoxy]-4-[(R)-(4-Chlorophenyl)-2-pyridinylmethoxy]-1-piperidinebutanoic acid4-[4-[(R)-(4-chlorophenyl)-(2-pyridyl)methoxy]-1-piperidyl]butanoic acid
Database identifiers
- CAS
190730-41-7- PubChem CID
- 444017
- UNII
- U63K8RVB6Y
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 449
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 546.8 · 546.8±50.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 4.44 · 4.44±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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