Basic information
- CAS
618074-08-1- Standard SMILES
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)C2c2cccc(F)c2)cc1- InChIKey
XSINKNRDAHGEID-ZNTNEXAZSA-N- Molecular formula
- C26H21FN2O4
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.14853532
Names & identifiers
- Preferred name
- 4-(4-(Allyloxy)benzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3-fluorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
- English name
- SALOR-INT L423815-1EA
- Molecular formula
- C26H21FN2O4
- Molecular weight
- 444.45
Names & synonyms
618074-08-14-[4-(allyloxy)benzoyl]-5-(3-fluorophenyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one4-(4-(Allyloxy)benzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-oneRefChem:513668637-652-64-(4-(Allyloxy)benzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one5-(3-fluorophenyl)-3-hydroxy-4-[4-(prop-2-en-1-yloxy)benzoyl]-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-oneSTK813926AKOS002193654AKOS016070146Z577836885-(3-fluorophenyl)-3-hydroxy-4-{[4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Show more names
SALOR-INT L423815-1EA
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 761
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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