Basic information
- CAS
96478-43-2- Standard SMILES
O=C1NCCN1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1- InChIKey
GHAMYXPEZSUOCU-XZOQPEGZSA-N- Molecular formula
- C24H29FN4O
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.23253972
Overview
Irindalone is a small molecule drug. Irindalone has a monoisotopic molecular weight of 408.23 Da.
Names & identifiers
- Preferred name
- Irindalone
- IUPAC
- 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
- English name
- Irindalone
- Molecular formula
- C24H29FN4O
- Molecular weight
- 408.51
Names & synonyms
Irindalone96478-43-2IrindalonaIrindalonum4F39T8N10KDTXSID302422741-(2-(4-(3-(p-fluorophenyl)-1-indanyl)-1-piperazinyl)ethyl)-2-imidazolidinone1-(2-(4-((1R,3S)-3-(4-Fluoro-phenyl)-indan-1-yl)-piperazin-1-yl)-ethyl)-imidazolidin-2-one1-(2-{4-[(1R,3S)-3-(4-Fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-oneRefChem:148743DTXCID30164765Lu 21099
Show more names
Lu 21-?0981-[2-[4-[(1R)-3β-(4-Fluorophenyl)-2,3-dihydro-1H-inden-1α-yl]-1-piperazinyl]ethyl]-2-imidazolidinone2-Imidazolidinone, 1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1-piperazinyl]ethyl]-
Lu 21.099Irindalone [INN]1-[2-[4-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-oneCHEMBL73461(+)-(1R,3S)-1-(2-(4-(3-(p-Fluorophenyl)-1-indanyl)-1-piperazinyl)ethyl)-2-imidazolidinone1-(2-{4-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl}ethyl)imidazolidin-2-oneIrindalonum [Latin]Irindalona [Spanish]
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- Melting point
- 88 · 88-90 °C
- Boiling point
- 605.69 · 605.690±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 14.519 · 14.519±0.20(predicted)
- FDA UNII
- 4 F39T8N10K · 4F39T8N10K
- 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
UsesIrindalone is a novel serotonin 5-HT2 antagonist.
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [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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