Isoalloxazine, 7,8-dichloro-10-(2-(dimethylamino)ethyl)-, sulfate

HCID 58675

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Basic information

CAS: 101652-02-2
Standard SMILES: C[NH+](C)CCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(Cl)cc21.O=S(=O)([O-])O
InChIKey: ILWSCPUNIIYEBG-UHFFFAOYSA-N
Molecular formula: C14H15Cl2N5O6S
Average molar mass: 452.3 g/mol
Monoisotopic mass: 451.0120098

Names & identifiers

Preferred name: Isoalloxazine, 7,8-dichloro-10-(2-(dimethylamino)ethyl)-, sulfate
IUPAC: 2-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)ethyl-dimethylazanium;hydrogen sulfate

Names & synonyms

101652-02-2ISOALLOXAZINE, 7,8-DICHLORO-10-(2-(DIMETHYLAMINO)ETHYL)-, SULFATE7,8-Dichloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfateDTXSID10144101RefChem:349529DTXCID90665922-(7,8-Dichloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylethan-1-aminium hydrogen sulfate

Database identifiers

CAS: 101652-02-2
PubChem CID: 58675
DTXSID: DTXSID10144101

Properties

Computed structural properties

Topological polar surface area: 164 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 0
Complexity: 668

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