Basic information
- CAS
96577-66-1- Standard SMILES
CCOCC(COc1c2oc(C)cc2c(O)c2c(=O)ccoc12)[NH+](CC)CC.[Cl-]- InChIKey
RDDGTKHXFBZFOO-UHFFFAOYSA-N- Molecular formula
- C21H28ClNO6
- Average molar mass
- 425.9 g/mol
- Monoisotopic mass
- 425.1605153
Names & identifiers
- Preferred name
- 9-(2-(Diethylamino)-3-ethoxypropoxy)-4-hydroxy-2-methyl-5H-furo(3,2-g)(1)benzopyran-5-one--hydrogen chloride (1/1)
- IUPAC
- [1-ethoxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropan-2-yl]-diethylazanium chloride
Names & synonyms
96577-66-1DTXSID509144419-(2-(Diethylamino)-3-ethoxypropoxy)-4-hydroxy-2-methyl-5H-furo(3,2-g)(1)benzopyran-5-one--hydrogen chloride (1/1)RefChem:1074889DTXCID0013434335H-Furo(3,2-g)(1)benzopyran-5-one, 9-(2-(diethylamino)-3-ethoxypropoxy)-4-hydroxy-7-methyl-, hydrochloride2-Methyl-5-hydroxy-8-(beta-diaethylamino-gamma-aethoxypropoxy)furano-6,7:2'3'-chromon-HCl[1-ethoxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropan-2-yl]-diethylazanium chloride
Database identifiers
- CAS
96577-66-1- PubChem CID
- 57110
Properties
Computed structural properties
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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