Isoalloxazine, 7-chloro-10-(2-(dimethylamino)ethyl)-, sulfate

HCID 58663

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Basic information

CAS: 101651-94-9
Standard SMILES: C[NH+](C)CCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)ccc21.O=S(=O)([O-])O
InChIKey: ZPQBSKATYITEBC-UHFFFAOYSA-N
Molecular formula: C14H16ClN5O6S
Average molar mass: 417.8 g/mol
Monoisotopic mass: 417.0509821

Names & identifiers

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

Names & synonyms

101651-94-9ISOALLOXAZINE, 7-CHLORO-10-(2-(DIMETHYLAMINO)ETHYL)-, SULFATE7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfateDTXSID50144100RefChem:349534DTXCID40665912-(7-Chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylethan-1-aminium hydrogen sulfate

Database identifiers

CAS: 101651-94-9
PubChem CID: 58663
DTXSID: DTXSID50144100

Properties

Computed structural properties

Topological polar surface area: 164 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 635

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