Butyric acid, 2-((9-methoxy-7-methyl-5-oxo-3a,4,4a,8,9,9a-hexahydro-5H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-, 2-(diethylamino)ethyl ester, hydrochloride
Basic information
- CAS
71510-44-6- Standard SMILES
CCC(OC1C2C=COC2C(OC)C2OC(C)=CC(=O)C12)C(=O)OCC[NH+](CC)CC.[Cl-]- InChIKey
KYPYKONVFODEMB-UHFFFAOYSA-N- Molecular formula
- C23H36ClNO7
- Average molar mass
- 474 g/mol
- Monoisotopic mass
- 473.2180302
Names & identifiers
- Preferred name
- Butyric acid, 2-((9-methoxy-7-methyl-5-oxo-3a,4,4a,8,9,9a-hexahydro-5H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- diethyl-[2-[2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoyloxy]ethyl]azanium chloride
Names & synonyms
71510-44-6Butyric acid, 2-((9-methoxy-7-methyl-5-oxo-3a,4,4a,8,9,9a-hexahydro-5H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-, 2-(diethylamino)ethyl ester, hydrochlorideRefChem:331228
Database identifiers
- CAS
71510-44-6- PubChem CID
- 51332
Properties
Computed structural properties
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 702
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Compound notes
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