1-((2-(Diethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one
Basic information
- CAS
86455-97-2- Standard SMILES
CCN(CC)CCNc1ccc(CO)c2oc3ccc(O)cc3c(=O)c12- InChIKey
OSFGIIHGSJLJLF-UHFFFAOYSA-N- Molecular formula
- C20H24N2O4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.17360725
Names & identifiers
- Preferred name
- 1-((2-(Diethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one
- IUPAC
- 1-[2-(diethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one
Names & synonyms
NSC35535786455-97-21-((2-(Diethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-oneNSC 355357NSC-3553571-{[2-(Diethylamino)ethyl]amino}-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one9H-Xanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-TXE68QY56HCHEMBL22897SCHEMBL10999391DTXSID102355631-(2-diethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)xanthen-9-one
Database identifiers
- CAS
86455-97-2- PubChem CID
- 337428
- DTXSID
DTXSID10235563- ChEMBL
CHEMBL22897- UNII
- TXE68QY56H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
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Related reactions
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Compound notes
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