4-(4-Bromobenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
617697-37-7- Standard SMILES
O=C1C(=O)N(CC2CCCO2)C(c2cccc(O)c2)/C1=C(\O)c1ccc(Br)cc1- InChIKey
KQDCPOMHMGYSPE-CZIZESTLSA-N- Molecular formula
- C22H20BrNO5
- Average molar mass
- 458.3 g/mol
- Monoisotopic mass
- 457.05249
Names & identifiers
- Preferred name
- 4-(4-Bromobenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
- English name
- SALOR-INT L442224-1EA
- Molecular formula
- C22H20BrNO5
- Molecular weight
- 458.3
Names & synonyms
617697-37-74-(4-BROMOBENZOYL)-3-HYDROXY-5-(3-HYDROXYPHENYL)-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONERefChem:513891644-442-84-(4-bromobenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dioneZ57783109SALOR-INT L442224-1EA4-(4-bromobenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-2(5H)-one2H-Pyrrol-2-one, 4-(4-bromobenzoyl)-1,5-dihydro-3-hydroxy-5-(3-hydroxyphenyl)-1-[(tetrahydro-2-furanyl)methyl]-
Database identifiers
- CAS
617697-37-7- PubChem CID
- 5737151
- EC Number
- 644-442-8
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P273-P391-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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, 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)
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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H335-H315-H302-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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