Basic information
- CAS
378764-13-7- Standard SMILES
O=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccc(Cl)cc1)c1ccco1- InChIKey
LRZVVCRWHDNZPP-UHFFFAOYSA-N- Molecular formula
- C21H18ClN3O4
- Average molar mass
- 411.8 g/mol
- Monoisotopic mass
- 411.0985838
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)-4-(2-furoyl)-3-hydroxy-1-[3-(1H-imidazol-1-YL)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
- English name
- SALOR-INT L435643-1EA
- Molecular formula
- C21H18ClN3O4
- Molecular weight
- 411.84
Names & synonyms
378764-13-75-(4-CHLOROPHENYL)-4-(2-FUROYL)-3-HYDROXY-1-[3-(1H-IMIDAZOL-1-YL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE5-(4-CHLOROPHENYL)-4-(2-FUROYL)-3-HYDROXY-1-(3-(1H-IMIDAZOL-1-YL)PROPYL)-1,5-DIHYDRO-2H-PYRROL-2-ONERefChem:530290646-164-21-(3-(1H-Imidazol-1-yl)propyl)-5-(4-chlorophenyl)-4-(furan-2-carbonyl)-3-hydroxy-1H-pyrrol-2(5H)-oneOprea1_138048STK876347AKOS000524352AKOS016067879CCG-1112272-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
Show more names
SALOR-INT L435643-1EA2H-Pyrrol-2-one, 5-(4-chlorophenyl)-4-(2-furanylcarbonyl)-1,5-dihydro-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-
UPCMLD0ENAT5967526:001AB00115155-01SR-01000486830SR-01000486830-1Z572379295-(4-chlorophenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Boiling point
- 676.3 · 676.3±55.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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…