Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate

HCID 58665

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Basic information

CAS: 101651-96-1
Standard SMILES: CC(CCC[NH+](C)C)n1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)ccc21.O=S(=O)([O-])O
InChIKey: CKNQJRCNEDWFEE-UHFFFAOYSA-N
Molecular formula: C17H22ClN5O6S
Average molar mass: 459.9 g/mol
Monoisotopic mass: 459.0979323

Names & identifiers

Preferred name: Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate
IUPAC: 4-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)pentyl-dimethylazanium;hydrogen sulfate

Names & synonyms

7-Chloro-10-(4-(dimethylamino)-1-methylbutyl)isoalloxazine sulfateISOALLOXAZINE, 7-CHLORO-10-(4-(DIMETHYLAMINO)-1-METHYLBUTYL)-, SULFATE101651-96-1RefChem:349539

Database identifiers

CAS: 101651-96-1
PubChem CID: 58665

Properties

Computed structural properties

Topological polar surface area: 164 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 694

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