Basic information
- CAS
488708-02-7- Standard SMILES
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCc3ccccc3)cc2C)C1c1cccs1- InChIKey
QGHIXJLMQFQVRN-IMVLJIQESA-N- Molecular formula
- C29H32N2O4S
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.20827868
Names & identifiers
- Preferred name
- 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
- English name
- SALOR-INT L436380-1EA
- Molecular formula
- C29H32N2O4S
- Molecular weight
- 504.64
Names & synonyms
488708-02-74-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-5-(2-THIENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-oneRefChem:513688646-233-7STK880641AKOS002194606AKOS0160679454-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(thiophen-2-yl)-1,5-dihydro-2H-pyrrol-2-oneSALOR-INT L436380-1EA4-(4-(benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[2-methyl-4-(phenylmethoxy)benzoyl]-5-(2-thienyl)-
Database identifiers
- CAS
488708-02-7- PubChem CID
- 5826041
- EC Number
- 646-233-7
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 792
Physicochemical properties
- Boiling point
- 699.8 · 699.8±55.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…