4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
Basic information
- CAS
488109-37-1- Standard SMILES
CCCCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN(C)C)C2c2ccc(F)cc2)cc1C- InChIKey
FWSJANXWNAAQSR-UHFFFAOYSA-N- Molecular formula
- C26H31FN2O4
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.22678564
Names & identifiers
- Preferred name
- 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
- IUPAC
- 4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)pyrrolidine-2,3-dione
Names & synonyms
4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one488109-37-1
Database identifiers
- CAS
488109-37-1- PubChem CID
- 3760740
- EC Number
- 134-721-8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 717
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Related reactions
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Compound notes
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