Basic information
- CAS
489440-61-1- Standard SMILES
Cc1cc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(O)cc2)ccc1OCC(C)C- InChIKey
DLZHEGKOFYIMNZ-ZNTNEXAZSA-N- Molecular formula
- C26H32N2O5
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.23112213
Names & identifiers
- Preferred name
- 1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Names & synonyms
489440-61-11-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-oneSTK812051AKOS002191689AKOS016064097Z577807551-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-hydroxyphenyl)-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
489440-61-1- PubChem CID
- 5773019
- EC Number
- 134-789-9
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 726
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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