Balfourodinium

HCID 148302

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Basic information

CAS: 38487-24-0
Standard SMILES: COc1c2c([n+](C)c3c(OC)cccc13)O[C@@H](C(C)(C)O)C2
InChIKey: OQZCPLGYHZLFBM-CYBMUJFWSA-N
Molecular formula: C17H22NO4+
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.15488318

Overview

Balfourodinium is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.

Names & identifiers

Preferred name: Balfourodinium
IUPAC: 2-[(2R)-4,8-dimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-ol

Names & synonyms

Balfourodinium38487-24-04-Methoxybalfourodinium2-[(2R)-4,8-dimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-olC10648CHEBI:2986DTXSID80191809Q27105912(2R)-2-(2-Hydroxypropan-2-yl)-4,8-dimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-iumFuro(2,3-b)quinolinium, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4,8-dimethoxy-9-methyl-, (R)-

Database identifiers

CAS: 38487-24-0
PubChem CID: 148302
DTXSID: DTXSID80191809
ChEBI: CHEBI:2986
Nikkaji: J1.849.923A

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 1
Complexity: 402

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