Basic information
- CAS
18559-63-2- Standard SMILES
COc1cc(CC2[NH2+]CCc3cc(O)c(O)cc32)cc(OC)c1OC.[Cl-]- InChIKey
UHSXRTHJCJGEKG-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO5
- Average molar mass
- 381.8 g/mol
- Monoisotopic mass
- 381.1343006
Overview
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Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride
- IUPAC
- 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride
Names & synonyms
1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;chloride(+-)-TrimethoquinolTretoquinol dl-form hydrochloride100GVI988J(+-)-Trimetoquinol hydrochlorideTretoquinol dl-form HClUNII-100GVI988Jrac-Tretoquinol HClTMQ, R-(+)(+-)-1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxybenzyl)-6,7-isoquinolinediol hydrochloridedl-1-(3,4,5-Trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
Show more names
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(3,4,5-trimethoxybenzyl)-, hydrochloride, (+-)-6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(3,4,5-trimethoxyphenyl)-, hydrochloride
Database identifiers
- CAS
18559-63-2- PubChem CID
- 29138
Properties
Computed structural properties
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 409
Related reactions
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Compound notes
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