Lidanserin
Basic information
- CAS
132683-37-5- Standard SMILES
COc1ccc(C2CNC(=O)C2)cc1OCCCN1CCC(C(=O)c2ccc(F)cc2)CC1- InChIKey
JDYWZVJXSMADHP-UHFFFAOYSA-N- Molecular formula
- C26H31FN2O4
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.22678564
Names & identifiers
- Preferred name
- Lidanserin
- IUPAC
- 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propoxy]-4-methoxyphenyl]pyrrolidin-2-one
- English name
- Lidanserin
- Molecular formula
- C26H31FN2O4
- Molecular weight
- 454.53
Names & synonyms
Lidanserin73725-85-6LidanserineLidanserinaLidanserin [INN]ZK-33839Lidanserin, (+)-80O1E9JZLNHJN54GC3F64-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propoxy]-4-methoxyphenyl]pyrrolidin-2-oneZK338394-(3-(3-(4-(4-fluorobenzoyl)piperidin-1-yl)propoxy)-4-methoxyphenyl)pyrrolidin-2-one
Show more names
ZK 338394-[3-[3-[4-(4-Fluorobenzoyl)-1-piperidinyl]propoxy]-4-methoxyphenyl]-2-pyrrolizinone
132683-37-5Lidanserinum4-(3-{3-[4-(4-fluorobenzoyl)piperidin-1-yl]propoxy}-4-methoxyphenyl)pyrrolidin-2-one2-Pyrrolidinone, 4-(3-(3-(4-(4-fluorobenzoyl)-1-piperidinyl)propoxy)-4-methoxyphenyl)-, (+)-Lidanserine [INN-French]Lidanserinum [INN-Latin]UNII-80O1E9JZLNLidanserina [INN-Spanish]
Database identifiers
- CAS
132683-37-5、73725-85-6- PubChem CID
- 68919
- DTXSID
DTXSID60868269- ChEMBL
CHEMBL1742467- UNII
- 80O1E9JZLN、HJN54GC3F6、UT82UYM4JY
- Nikkaji
- J327.338E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 646
Physicochemical properties
- Boiling point
- 658.6 · 658.6±55.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 50 · DMSO:50.0(Max Conc. mg/mL);110.0(Max Conc. mM)
- form
- Solid
- pka
- 16.02 · 16.02±0.40(Predicted)
- color
- Off-white to light yellow
- FDA UNII
- 80 O1E9JZLN · 80O1E9JZLN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-P305+P351+P338
Chemistry & industry
Applications
UsesLidanserin is a potential antihypertensive compound which combines vasodilatatory effects due to selective alpha 1-receptor antagonistic action and platelet antiaggregatory, antivasospastic, and vasoprotective properties due to selective 5-HT2-receptor blockade.
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Compound notes
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