Veradoline
Basic information
- CAS
79201-80-2- Standard SMILES
COc1cc2c(cc1OC)C(C)N(CCc1ccc(N)cc1)CC2- InChIKey
KUYSNZZXTMKUTK-UHFFFAOYSA-N- Molecular formula
- C20H26N2O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.19942808
Names & identifiers
- Preferred name
- Veradoline
- IUPAC
- 4-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
- English name
- Veradoline
- Molecular formula
- C20H26N2O2
- Molecular weight
- 326.437
Names & synonyms
VeradolineVeradoline [INN]UNII-NB82166K5AveradolinaNB82166K5A79201-80-2VERADOLINE [WHO-DD]82924-71-8BENZENAMINE, 4-(2-(3,4-DIHYDRO-6,7-DIMETHOXY-1-METHYL-2(1H)-ISOQUINOLINYL)ETHYL)-veradolinumRefChem:1939414-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
Show more names
SCHEMBL489286CHEMBL2111059SCHEMBL29388371DTXSID00868506KUYSNZZXTMKUTK-UHFFFAOYSA-NQ272847744-[2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]anilineN-(4-aminophenethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylisoquinoline
Database identifiers
- CAS
79201-80-2、82924-71-8- PubChem CID
- 53505
- DTXSID
DTXSID00868506- ChEMBL
CHEMBL2111059- UNII
- NB82166K5A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- FDA UNII
- 82166 K5A · NB82166K5A
Chemistry & industry
Applications
UsesAnalgesic.
Related reactions
3 records
Compound notes
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