Flavanone, 8-diethylaminomethyl-3,3',4',5,7-pentahydroxy-, hydrochloride

HCID 42282

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Basic information

CAS: 57355-29-0
Standard SMILES: CC[NH+](CC)Cc1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2=O.[Cl-]
InChIKey: WFDANDDNYRCWOQ-UHFFFAOYSA-N
Molecular formula: C20H24ClNO7
Average molar mass: 425.9 g/mol
Monoisotopic mass: 425.1241298

Names & identifiers

Preferred name: Flavanone, 8-diethylaminomethyl-3,3',4',5,7-pentahydroxy-, hydrochloride
IUPAC: [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-8-yl]methyl-diethylazanium chloride

Names & synonyms

8-Diethylaminomethyl dihydroquercetin, hydrochloride57355-29-08-Diethylaminomethyl-3,3',4',5,7-pentahydroxyflavanone, hydrochlorideFLAVANONE, 8-DIETHYLAMINOMETHYL-3,3',4',5,7-PENTAHYDROXY-, HYDROCHLORIDERefChem:345434

Database identifiers

CAS: 57355-29-0
PubChem CID: 42282

Properties

Computed structural properties

Topological polar surface area: 132 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 543

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