1-(2',4',5-Trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
72943-42-1- Standard SMILES
COc1cc(OC)c(OC)cc1CC1NCCc2cc(O)c(O)cc21.Cl- InChIKey
RAWZMAIHHVRUHU-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO5
- Average molar mass
- 381.8 g/mol
- Monoisotopic mass
- 381.1343006
Overview
2',4',5'-trimethoxy analog of trimethoquinol; structure given in first source
Names & identifiers
- Preferred name
- 1-(2',4',5-Trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 1-[(2,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
Names & synonyms
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((2,4,5-trimethoxyphenyl)methyl)-, hydrochloride1-(2',4',5-Trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolineRefChem:90715678685-99-172943-42-12,4,5-TrimetoquinolDTXSID509937161-[(2,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride1-[(2,4,5-Trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
72943-42-1- PubChem CID
- 132897
- DTXSID
DTXSID50993716
Properties
Computed structural properties
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 423
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Related reactions
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Compound notes
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