Hycanthone furoate
Basic information
- CAS
50283-78-8- Standard SMILES
CCN(CC)CCNc1ccc(COC(=O)c2ccco2)c2sc3ccccc3c(=O)c12- InChIKey
ACQBSDGZKKDYLW-UHFFFAOYSA-N- Molecular formula
- C25H26N2O4S
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.16132849
Names & identifiers
- Preferred name
- Hycanthone furoate
- IUPAC
- [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl furan-2-carboxylate
- English name
- 1-[[2-(Diethylamino)ethyl]amino]-4-(hydroxymethyl)-9H-thioxanthen-9-one=2-furancarboxylate
- Molecular formula
- C25H26N2O4S
- Molecular weight
- 450.55
Names & synonyms
Hycanthone furoate50283-78-81-[[2-(Diethylamino)ethyl]amino]-4-(hydroxymethyl)-9H-thioxanthen-9-one=2-furancarboxylate1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)thioxanthen-9-one furoateThioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-hydroxymethyl-, furoateDTXSID90198288(1-{[2-(DIETHYLAMINO)ETHYL]AMINO}-9-OXO-9H-THIOXANTHEN-4-YL)METHYL FURAN-2-CARBOXYLATE2-Furancarboxylic acid, (1-((2-(diethylamino)ethyl)amino)-9-oxo-9H-thioxanthen-4-yl)methyl ester2-Furancarboxylic acid, [1-[[2-(diethylamino)ethyl]amino]-9-oxo-9H-thioxanthen-4-yl]methyl ester
Database identifiers
- CAS
50283-78-8- PubChem CID
- 148490
- DTXSID
DTXSID90198288- Nikkaji
- J75.470F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 643
Chemistry & industry
Applications
DescriptionHycanthone furoate is a thioxanthene derivative of lucanthone with anti-schistosomal activity and potential antineoplastic activity.
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