Basic information
- CAS
38952-84-0- Standard SMILES
COc1cc(C(=O)OC(CN2CCCC2)Cn2ncc3c(OC)c(OC)c(OC)cc3c2=O)cc(OC)c1OC.Cl- InChIKey
HQMNIQHZGUIYLO-UHFFFAOYSA-N- Molecular formula
- C28H36ClN3O9
- Average molar mass
- 594.1 g/mol
- Monoisotopic mass
- 593.2140074
Names & identifiers
- Preferred name
- 1-(Pyrrolidin-1-yl)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- [1-pyrrolidin-1-yl-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride
Names & synonyms
38952-84-0DTXSID509597961-(Pyrrolidin-1-yl)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)RefChem:1054764DTXCID801387669Benzoic acid, 3,4,5-trimethoxy-, 1-(1-pyrrolidinylmethyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
Database identifiers
- CAS
38952-84-0- PubChem CID
- 217596
- DTXSID
DTXSID50959796
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 856
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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