1-(Diethylamino)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Basic information
- CAS
38952-79-3- Standard SMILES
CCN(CC)CC(Cn1ncc2c(OC)c(OC)c(OC)cc2c1=O)OC(=O)c1cc(OC)c(OC)c(OC)c1.Cl- InChIKey
FGKPALWCUMYERI-UHFFFAOYSA-N- Molecular formula
- C28H38ClN3O9
- Average molar mass
- 596.1 g/mol
- Monoisotopic mass
- 595.2296575
Names & identifiers
- Preferred name
- 1-(Diethylamino)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- [1-(diethylamino)-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride
Names & synonyms
DTXSID1095979238952-79-31-(Diethylamino)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)RefChem:1054646DTXCID001387665Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
Database identifiers
- CAS
38952-79-3- PubChem CID
- 217588
- DTXSID
DTXSID10959792
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 828
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Compound notes
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