Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)methylamino)propyl)-, sulfate

HCID 58679

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Basic information

CAS: 101652-07-7
Standard SMILES: C[NH+](CCO)CCCn1c2nc(=O)[nH]c(=O)c-2nc2c(Cl)c(Cl)ccc21.O=S(=O)([O-])O
InChIKey: PYXBEZZMJJKCSX-UHFFFAOYSA-N
Molecular formula: C16H19Cl2N5O7S
Average molar mass: 496.3 g/mol
Monoisotopic mass: 495.0382245

Names & identifiers

Preferred name: Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)methylamino)propyl)-, sulfate
IUPAC: 3-(6,7-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-(2-hydroxyethyl)-methylazanium;hydrogen sulfate

Names & synonyms

Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)methylamino)propyl)-, sulfate101652-07-7RefChem:10875016,7-Dichloro-10-(3-(N-(2-hydroxyethyl)methylamino)propyl)isoalloxazine sulfate

Database identifiers

CAS: 101652-07-7
PubChem CID: 58679

Properties

Computed structural properties

Topological polar surface area: 185 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 31
Formal charge: 0
Complexity: 717

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