1,3-Dioxolo(4,5-g)isoquinoline, 5-(alpha-aminoveratryl)-7-methyl-, dihydrochloride
Basic information
- CAS
17656-51-8- Standard SMILES
COc1ccc(C(N)c2nc(C)cc3cc4c(cc23)OCO4)cc1OC.Cl.Cl- InChIKey
LYKSVCCEJZCEDC-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2N2O4
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 424.0956626
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 5-(alpha-aminoveratryl)-7-methyl-, dihydrochloride
- IUPAC
- (3,4-dimethoxyphenyl)-(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanamine;dihydrochloride
Names & synonyms
5-(alpha-Aminoveratryl)-7-methyl-1,3-dioxolo(4,5-g)isoquinoline dihydrochloride17656-51-81,3-Dioxolo(4,5-g)isoquinoline, 5-(alpha-aminoveratryl)-7-methyl-, dihydrochlorideRefChem:219028DTXSID609388101-(3,4-Dimethoxyphenyl)-1-(7-methyl-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanamine--hydrogen chloride (1/2)
Database identifiers
- CAS
17656-51-8- PubChem CID
- 205236
- DTXSID
DTXSID60938810
Properties
Computed structural properties
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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