Isoalloxazine, 7-chloro-10-(3-(N-ethyl-N-(2-hydroxyethyl)amino)propyl)-, hydrochloride

HCID 58669

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Basic information

CAS: 101651-98-3
Standard SMILES: CC[NH+](CCO)CCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)ccc21.[Cl-]
InChIKey: LPZMYCBJKTYZBK-UHFFFAOYSA-N
Molecular formula: C17H21Cl2N5O3
Average molar mass: 414.3 g/mol
Monoisotopic mass: 413.1021449

Names & identifiers

Preferred name: Isoalloxazine, 7-chloro-10-(3-(N-ethyl-N-(2-hydroxyethyl)amino)propyl)-, hydrochloride
IUPAC: 3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-ethyl-(2-hydroxyethyl)azanium chloride

Names & synonyms

Isoalloxazine, 7-chloro-10-(3-(N-ethyl-N-(2-hydroxyethyl)amino)propyl)-, hydrochloride101651-98-3RefChem:10875027-Chloro-10-(3-(N-ethyl-N-(2-hydroxyethyl)amino)propyl)isoalloxazine hydrochloride

Database identifiers

CAS: 101651-98-3
PubChem CID: 58669

Properties

Computed structural properties

Topological polar surface area: 98.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 624

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