4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
Basic information
- CAS
500269-08-9- Standard SMILES
CCCCOc1ccc(C(O)=C2C(=O)C(=O)N(CCN(C)C)C2c2cccnc2)cc1C- InChIKey
AJSGWLKXZXBYNB-UHFFFAOYSA-N- Molecular formula
- C25H31N3O4
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.23145648
Names & identifiers
- Preferred name
- 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
- IUPAC
- 4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-pyridin-3-ylpyrrolidine-2,3-dione
Names & synonyms
4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one500269-08-9
Database identifiers
- CAS
500269-08-9- PubChem CID
- 3578151
- EC Number
- 134-711-3
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 693
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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