N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide
Basic information
- CAS
52869-18-8- Standard SMILES
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1- InChIKey
SIGATAYQAZTAOH-UHFFFAOYSA-N- Molecular formula
- C21H13NO3
- Average molar mass
- 327.3 g/mol
- Monoisotopic mass
- 327.08954328
Overview
inhibitor of severe acute respiratory syndrome coronavirus entry; structure in first source
Names & identifiers
- Preferred name
- N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide
- IUPAC
- N-(9,10-dioxoanthracen-2-yl)benzamide
- English name
- N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide
- Molecular formula
- C21H13NO3
- Molecular weight
- 327.33282
Names & synonyms
N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamideDTXSID70341119RefChem:825005DTXCID4029220052869-18-8SSAA09E3N-(9,10-dioxoanthracen-2-yl)benzamideN-(2-ANTHRAQUINONYL)BENZAMIDEN1-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamideAnthraquinone, 2-benzamido-SSAA09E3?med.21724, Compound 25
Show more names
2-Benzamido-9,10-anthraquinone
orb1298208SCHEMBL8528763CHEMBL5280105SCHEMBL30519331C21H13NO3SIGATAYQAZTAOH-UHFFFAOYSA-NBDBM429289GLXC-03526
Database identifiers
- CAS
52869-18-8- PubChem CID
- 570342
- DTXSID
DTXSID70341119- ChEMBL
CHEMBL5280105- EC Number
- 660-768-3
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- storage temp.
- 4 °C, · 4°C, protect from light
- form
- Solid
- color
- Light brown to brown
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · 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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
DescriptionSSAA09E3 is a novel inhibitor of SARS-CoV replication, acting by preventing fusion of the viral membrane with the host cellular membrane.
UsesSSAA09E3 is a SARS-CoV entry inhibitor that inhibits SARS/HIV pseudotyped virus entry with an EC50 of 9.7 μM in 293T cells and inhibits SARS-CoV infection of Vero cells with an EC50 of 0.15 μM[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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