Isoalloxazine, 7,8-dichloro-10-(4-(diethylamino)-1-methylbutyl)-, hydrochloride

HCID 58673

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Basic information

CAS: 101652-01-1
Standard SMILES: CC[NH+](CC)CCCC(C)n1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(Cl)cc21.[Cl-]
InChIKey: KIXBRGHXUGVHFX-UHFFFAOYSA-N
Molecular formula: C19H24Cl3N5O2
Average molar mass: 460.8 g/mol
Monoisotopic mass: 459.099558

Names & identifiers

Preferred name: Isoalloxazine, 7,8-dichloro-10-(4-(diethylamino)-1-methylbutyl)-, hydrochloride
IUPAC: 4-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)pentyl-diethylazanium chloride

Names & synonyms

7,8-Dichloro-10-(4-(diethylamino)-1-methylbutyl)isoalloxazine hydrochlorideISOALLOXAZINE, 7,8-DICHLORO-10-(4-(DIETHYLAMINO)-1-METHYLBUTYL)-, HYDROCHLORIDE101652-01-1RefChem:349533

Database identifiers

CAS: 101652-01-1
PubChem CID: 58673

Properties

Computed structural properties

Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 679

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