Basic information
- CAS
108589-77-1- Standard SMILES
COc1cc2c(cc1OC)[C@@H](C)[C@@H](C)n1c-2cc(=Nc2c(C)cc(C)cc2C)n(C)c1=O.Cl- InChIKey
RETYOYLFNORTFP-CJRXIRLBSA-N- Molecular formula
- C26H32ClN3O3
- Average molar mass
- 470 g/mol
- Monoisotopic mass
- 469.2132196
Names & identifiers
- Preferred name
- 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6R-cis)-
- IUPAC
- (6R,7R)-9,10-dimethoxy-3,6,7-trimethyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Names & synonyms
108589-77-14H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (6R-cis)-
Database identifiers
- CAS
108589-77-1- PubChem CID
- 3065656
Properties
Computed structural properties
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 768
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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