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3-chloro-N-(5-((4-chlorobenzoyl)amino)-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthryl)benzamide

HCID 3019232
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Basic information

CAS
83721-55-5
Standard SMILES
O=C(Nc1ccc(O)c2c1C(=O)c1c(O)ccc(NC(=O)c3cccc(Cl)c3)c1C2=O)c1ccc(Cl)cc1
InChIKey
VSVIXEIZLUKQCE-UHFFFAOYSA-N
Molecular formula
C28H16Cl2N2O6
Average molar mass
547.3 g/mol
Monoisotopic mass
546.0385416

Names & identifiers

Preferred name
3-chloro-N-(5-((4-chlorobenzoyl)amino)-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthryl)benzamide
IUPAC
3-chloro-N-[5-[(4-chlorobenzoyl)amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]benzamide
English name
3-chloro-N-[5-[(4-chlorobenzoyl)amino]-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthryl]benzamide
Molecular formula
C28H16Cl2N2O6
Molecular weight
547.34244

Names & synonyms

5GU5UTY6U5EINECS 280-581-73-Chloro-N-(5-((4-chlorobenzoyl)amino)-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthryl)benzamideDTXSID40232580Benzamide, 3-chloro-N-(5-((4-chlorobenzoyl)amino)-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthracenyl)-3-CHLORO-N-[5-[(4-CHLOROBENZOYL)AMINO]-9,10-DIHYDRO-4,8-DIHYDROXY-9,10-DIOXO-1-ANTHRYL]BENZAMIDE3-CHLORO-N-(5-((4-CHLOROBENZOYL)AMINO)-9,10-DIHYDRO-4,8-DIHYDROXY-9,10-DIOXO-1-ANTHRACENYL)BENZAMIDE3-Chloro-N-[5-[(4-chlorobenzoyl)amino]-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthracenyl]benzamideRefChem:93492DTXCID70155071280-581-783721-55-5
Show more names
3-chloro-N-[5-[(4-chlorobenzoyl)amino]-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthracenyl]-Benzamide3-Chloro-N-[[5-[(4-chlorobenzoyl)amino]-9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracen]-1-yl]benzamideBenzamide, 3-chloro-N-[5-[(4-chlorobenzoyl) amino]-9,10-dihydro-4,8-dihydroxy-9,10-dioxo -1-anthracenyl]-

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
133 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
38
Formal charge
0
Complexity
940

Physicochemical properties

FDA UNII
5 GU5UTY6U5 · 5GU5UTY6U5

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationChemical: Benzamide, 3-chloro-N-[5-[(4-chlorobenzoyl)amino]-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthracenyl]-

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes
UNII-5GU5UTY6U53-Chloro-N-(5-(4-chlorobenzamido)-4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide3-CHLORO-N-[5-(4-CHLOROBENZAMIDO)-4,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL]BENZAMIDEVSVIXEIZLUKQCE-UHFFFAOYSA-NNS00038272

Database identifiers

CAS
83721-55-5
PubChem CID
3019232
DTXSID
DTXSID40232580
UNII
5GU5UTY6U5
EC Number
280-581-7
Nikkaji
J296.153I