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

HCID 58684

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 101652-11-3
Standard SMILES: C[NH+](C)CCn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21.O=S(=O)([O-])O
InChIKey: WESNHKWGQQCGLD-UHFFFAOYSA-N
Molecular formula: C14H17N5O6S
Average molar mass: 383.38 g/mol
Monoisotopic mass: 383.08995445

Names & identifiers

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

Names & synonyms

10-(2-(Dimethylamino)ethyl)isoalloxazine sulfateISOALLOXAZINE, 10-(2-(DIMETHYLAMINO)ETHYL)-, SULFATE101652-11-3DTXSID90144104RefChem:349525DTXCID40665952-(2,4-Dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-dimethylethan-1-aminium hydrogen sulfate

Database identifiers

CAS: 101652-11-3
PubChem CID: 58684
DTXSID: DTXSID90144104

Properties

Computed structural properties

Topological polar surface area: 164 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 601

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…