Basic information
- CAS
67950-89-4- Standard SMILES
COc1cc(CC2NCCc3c(O)cc(O)cc32)cc(OC)c1OC- InChIKey
JOUMAXMNBTXGQC-UHFFFAOYSA-N- Molecular formula
- C19H23NO5
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.15762283
Overview
5,7-diol analog of trimethoquinol; RN given refers to (+-)-isomer
Names & identifiers
- Preferred name
- 5,7-Dihydroxy-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5,7-diol
- English name
- 5,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline
- Molecular weight
- 0
Names & synonyms
67950-89-45,7-Dihydroxy-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolineRefChem:1013371-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5,7-diolSCHEMBL9816905DTXSID709873395,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((3,4,5-trimethoxyphenyl)methyl)-, (+-)-
Database identifiers
- CAS
67950-89-4- PubChem CID
- 129273
- DTXSID
DTXSID70987339- Nikkaji
- J29.087D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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