5-(3-Ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isopropoxy-2-methylbenzoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
384349-50-2- Standard SMILES
CCOc1cc(C2/C(=C(\O)c3ccc(OC(C)C)cc3C)C(=O)C(=O)N2Cc2cccnc2)ccc1O- InChIKey
PWCOHTZTGLBWKU-IMVLJIQESA-N- Molecular formula
- C29H30N2O6
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.21038668
Names & identifiers
- Preferred name
- 5-(3-Ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isopropoxy-2-methylbenzoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-(2-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
- English name
- SALOR-INT L432156-1EA
- Molecular formula
- C29H30N2O6
- Molecular weight
- 502.56
Names & synonyms
384349-50-25-(3-ETHOXY-4-HYDROXYPHENYL)-3-HYDROXY-4-(4-ISOPROPOXY-2-METHYLBENZOYL)-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONERefChem:529893645-965-45-(3-Ethoxy-4-hydroxyphenyl)-3-hydroxy-4-(4-isopropoxy-2-methylbenzoyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-oneSTK611856AKOS005546795(4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-{hydroxy[2-methyl-4-(propan-2-yloxy)phenyl]methylidene}-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dioneSALOR-INT L432156-1EA2H-Pyrrol-2-one, 5-(3-ethoxy-4-hydroxyphenyl)-1,5-dihydro-3-hydroxy-4-[2-methyl-4-(1-methylethoxy)benzoyl]-1-(3-pyridinylmethyl)-
Database identifiers
- CAS
384349-50-2- PubChem CID
- 5941332
- EC Number
- 645-965-4
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 844
Physicochemical properties
- Boiling point
- 744.7 · 744.7±60.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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