Basic information
- CAS
106287-81-4- Standard SMILES
Cc1ccc(-c2cc(=O)c3ccc(OCC(O)CNC(C)C)cc3o2)cc1.Cl- InChIKey
SYJFBYMNIYYHAV-UHFFFAOYSA-N- Molecular formula
- C22H26ClNO4
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.155036
Overview
RN refers to HCl; structure given in first source
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-(4-methylphenyl)-, hydrochloride (1:1)
- IUPAC
- 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-(4-methylphenyl)chromen-4-one;hydrochloride
- English name
- SIPI 549
- Molecular formula
- C22H25NO4.ClH
- Molecular weight
- 403.903
Names & synonyms
methylflavonolamineSipi 549SIPI-549106287-81-4RefChem:9128484H-1-Benzopyran-4-one, 7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-(4-methylphenyl)-, hydrochloride (1:1)4'-Methyl-7-(2-hydroxy-3-isopropylaminopropoxy)flavone hydrochlorideMethylflavonolamine HCl7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-(4-methylphenyl)-4H-1-benzopyran-4-one HClMethylflavonolamine hydrochloride4'-methyl-7-(2-hydroxy-3-isopropylaminopropoxy)flavoneNIOSH/LK8653000
Show more names
Reaxys ID: 6553215
DTXSID909099724H-1-Benzopyran-4-one, 7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-(4-methylphenyl)-, hydrochlorideLK865300007-(2-Hydroxy-3-(isopropylamino)propoxy)-4'-methylflavone hydrochlorideFlavone, 7-(2-hydroxy-3-(isopropylamino)propoxy)-4'-methyl-, hydrochloride7-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}-2-(4-methylphenyl)-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 524
Chemistry & industry
Suppliers1 total
HBCChem, Inc.+1-510-219-6317 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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