Isoalloxazine, 7,8-dichloro-10-(2-diethylamino)ethyl-, hydrochloride

HCID 38902

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Basic information

CAS: 41572-59-2
Standard SMILES: CC[NH+](CC)CCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(Cl)cc21.[Cl-]
InChIKey: QJDZYIFKIJTWSB-UHFFFAOYSA-N
Molecular formula: C16H18Cl3N5O2
Average molar mass: 418.7 g/mol
Monoisotopic mass: 417.052608

Names & identifiers

Preferred name: Isoalloxazine, 7,8-dichloro-10-(2-diethylamino)ethyl-, hydrochloride
IUPAC: 2-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)ethyl-diethylazanium chloride

Names & synonyms

7,8-Dichloro-10-(2-(diethylamino)ethyl)isoalloxazine hydrochloride41572-59-2ISOALLOXAZINE, 7,8-DICHLORO-10-(2-DIETHYLAMINO)ETHYL-, HYDROCHLORIDERefChem:349530

Database identifiers

CAS: 41572-59-2
PubChem CID: 38902

Properties

Computed structural properties

Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 620

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