5H-Furo(3,2-g)(1)benzopyran-5-one, 4-(3-(benzylisopropylamino)-2-hydroxypropoxy)-9-methoxy-7-methyl-, hydrochloride

HCID 41347

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 55165-33-8
Standard SMILES: COc1c2occc(OCC(O)C[NH+](Cc3ccccc3)C(C)C)c-2c(=O)c2cc(C)oc12.[Cl-]
InChIKey: IMHQERYPRJWDBY-UHFFFAOYSA-N
Molecular formula: C26H30ClNO6
Average molar mass: 488 g/mol
Monoisotopic mass: 487.1761654

Names & identifiers

Preferred name: 5H-Furo(3,2-g)(1)benzopyran-5-one, 4-(3-(benzylisopropylamino)-2-hydroxypropoxy)-9-methoxy-7-methyl-, hydrochloride
IUPAC: benzyl-[2-hydroxy-3-(9-methoxy-2-methyl-4-oxofuro[3,2-g]chromen-5-yl)oxypropyl]-propan-2-ylazanium chloride

Names & synonyms

55165-33-85H-Furo(3,2-g)(1)benzopyran-5-one, 4-(3-(benzylisopropylamino)-2-hydroxypropoxy)-9-methoxy-7-methyl-, hydrochlorideFuro(3,2-g)chromone, 4-(3-benzylisopropylamino-2-hydroxypropoxy)-9-methoxy-7-methyl-, hclRefChem:305647

Database identifiers

CAS: 55165-33-8
PubChem CID: 41347

Properties

Computed structural properties

Topological polar surface area: 82.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 34
Formal charge: 0
Complexity: 810

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…