Basic information
- CAS
71335-86-9- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3ccc(CCO)cc3)ccc(O)c21- InChIKey
HEIUNTCQZMXSDO-UHFFFAOYSA-N- Molecular formula
- C22H17NO4
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.11575802
Names & identifiers
- Preferred name
- 1-Hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione
- IUPAC
- 1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione
Names & synonyms
MLS00076619571335-86-9NSC1565651-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dioneSMR0005286571-Hydroxy-4-((4-(2-hydroxyethyl)phenyl)amino)anthracene-9,10-dione1-hydroxy-4-{[4-(2-hydroxyethyl)phenyl]amino}anthracene-9,10-dionecid_291365CHEMBL1509338REGID_for_CID_291365SCHEMBL13370284DTXSID20303085
Show more names
BDBM114547NSC-1565653-(Aminomethylene)pentane-2,4-dione, 95%MLS000766195-021-hydroxy-4-[4-(2-hydroxyethyl)anilino]-9,10-anthraquinone1-[[4-(2-hydroxyethyl)phenyl]amino]-4-oxidanyl-anthracene-9,10-dione
Database identifiers
- CAS
71335-86-9- PubChem CID
- 291365
- DTXSID
DTXSID20303085- ChEMBL
CHEMBL1509338
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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