5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-HY droxy-1-(3-(1H-imidazol-1-YL)propyl)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
618072-95-0- Standard SMILES
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCn3ccnc3)C2c2cc(Br)c(O)c(OC)c2)cc1F- InChIKey
KRPDNHUZHAYFNY-LSDHQDQOSA-N- Molecular formula
- C25H23BrFN3O6
- Average molar mass
- 560.4 g/mol
- Monoisotopic mass
- 559.07543
Names & identifiers
- Preferred name
- 5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-HY droxy-1-(3-(1H-imidazol-1-YL)propyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
- English name
- SALOR-INT L428140-1EA
- Molecular formula
- C25H23BrFN3O6
- Molecular weight
- 560.37
Names & synonyms
618072-95-05-(3-Bromo-4-hydroxy-5-methoxyphenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-HY droxy-1-(3-(1H-imidazol-1-YL)propyl)-1,5-dihydro-2H-pyrrol-2-one5-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-4-(3-FLUORO-4-METHOXYBENZOYL)-3-HY DROXY-1-[3-(1H-IMIDAZOL-1-YL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONERefChem:529771645-693-61-(3-(1H-Imidazol-1-yl)propyl)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-oneSALOR-INT L428140-1EA5-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-4-(3-FLUORO-4-METHOXYBENZOYL)-3-HYDROXY-1-[3-(1H-IMIDAZOL-1-YL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE
Database identifiers
- CAS
618072-95-0- PubChem CID
- 5934541
- EC Number
- 645-693-6
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 847
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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