Isoalloxazine, 7-chloro-10-(3-(dimethylamino)propyl)-, hydrochloride

HCID 58667

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Basic information

CAS: 101651-97-2
Standard SMILES: C[NH+](C)CCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)ccc21.[Cl-]
InChIKey: RRYSRSXQPSOVMQ-UHFFFAOYSA-N
Molecular formula: C15H17Cl2N5O2
Average molar mass: 370.2 g/mol
Monoisotopic mass: 369.0759302

Names & identifiers

Preferred name: Isoalloxazine, 7-chloro-10-(3-(dimethylamino)propyl)-, hydrochloride
IUPAC: 3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-dimethylazanium chloride

Names & synonyms

7-Chloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochlorideISOALLOXAZINE, 7-CHLORO-10-(3-(DIMETHYLAMINO)PROPYL)-, HYDROCHLORIDE101651-97-2RefChem:349538

Database identifiers

CAS: 101651-97-2
PubChem CID: 58667

Properties

Computed structural properties

Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 574

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