Benzoic acid, 3,4,5-trimethoxy-, 1-(4-morpholinylmethyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
Basic information
- CAS
38952-71-5- Standard SMILES
COc1cc(C(=O)OC(CN2CCOCC2)Cn2ncc3c(OC)c(OC)c(OC)cc3c2=O)cc(OC)c1OC.Cl- InChIKey
XUMXTTSUCVKSIT-UHFFFAOYSA-N- Molecular formula
- C28H36ClN3O10
- Average molar mass
- 610 g/mol
- Monoisotopic mass
- 609.208922
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 1-(4-morpholinylmethyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
- IUPAC
- [1-morpholin-4-yl-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride
Names & synonyms
38952-71-5Benzoic acid, 3,4,5-trimethoxy-, 1-(4-morpholinylmethyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochlorideRefChem:10790022-(gamma-Morpholino-beta-(3,4,5-trimethoxybenzoxy)propyl)-5,6,7-trimethoxy-1(2H)-phthalazinoneDTXSID509597911-(Morpholin-4-yl)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
38952-71-5- PubChem CID
- 217586
- DTXSID
DTXSID50959791
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 873
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Compound notes
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