Basic information
- CAS
55165-28-1- Standard SMILES
CC[NH+](Cc1ccccc1)CC(O)COc1c2oc(C)cc2c(O)c2c(=O)ccoc12.[Cl-]- InChIKey
LNNSWVQGTLENTF-UHFFFAOYSA-N- Molecular formula
- C24H26ClNO6
- Average molar mass
- 459.9 g/mol
- Monoisotopic mass
- 459.1448652
Names & identifiers
- Preferred name
- 9-(3-(Benzyl(ethyl)amino)-2-hydroxypropoxy)-4-hydroxy-2-methyl-5H-furo(3,2-g)(1)benzopyran-5-one--hydrogen chloride (1/1)
- IUPAC
- benzyl-ethyl-[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]azanium chloride
Names & synonyms
DTXSID909705069-(3-(Benzyl(ethyl)amino)-2-hydroxypropoxy)-4-hydroxy-2-methyl-5H-furo(3,2-g)(1)benzopyran-5-one--hydrogen chloride (1/1)RefChem:1074898DTXCID30139803755165-28-15H-Furo(3,2-g)(1)benzopyran-5-one, 9-(3-(benzylethylamino)-2-hydroxypropoxy)-4-hydroxy-7-methyl-, hydrochlorideFuro(3,2-g)chromone, 9-(3-benzylethylamino-2-hydroxypropoxy)-4-hydroxy-7-methyl-, hcl
Database identifiers
- CAS
55165-28-1- PubChem CID
- 41345
Properties
Computed structural properties
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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