Basic information
- CAS
30418-38-3- Standard SMILES
COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC- InChIKey
RGVPOXRFEPSFGH-AWEZNQCLSA-N- Molecular formula
- C19H23NO5
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.15762283
Overview
Tretoquinol is a member of isoquinolines.
Names & identifiers
- Preferred name
- Tretoquinol
- IUPAC
- (1S)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
- English name
- Tretoquinol
- Molecular formula
- C19H23NO5
- Molecular weight
- 345.39
Names & synonyms
Tretoquinol30418-38-3(-)-tretoquinolS-(-)-tretoquinolTretoquinol, (-)-JIO3275WGI(1S)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diolAQ 110DTXSID7023695TRETOQUINOL HYDROCHLORIDE HYDRATENSC-2887481,2,3,4-Tetrahydro-1-(3,4,5-trimethoxybenzyl)-6,7-isoquinolinediol
Show more names
Tretoquinol (trimetoquinol)l-Tretoquinol(S)-TrimetoquinolS-(-)-TrimetoquinolTretoquinol USP/EP/BP(-)-(S)-Trimethoquinol(1S)-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-dioll-(3,4,5-Trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolineL-1-(3,4,5-Trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
Tetroquinol(1S)-1-((3,4,5-trimethoxyphenyl)methyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diolTretoquinol-(S) HClRefChem:190777AQL208DTXCID203695Tretoquinol Hydrochloride, (S)-AQ110
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
Physicochemical properties
- Boiling point
- 533.3 · 533.3±50.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 9.7 · 9.70±0.40(Predicted)
- FDA UNII
- 3275 WGI · JIO3275WGI
- ATC code
- 3 AC09,R03CC09 · R03AC09,R03CC09
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
R - Respiratory system
QR - Respiratory system
QR - Respiratory system
MeSH Pharmacological Classification
Drugs that selectively bind to and activate beta-adrenergic receptors.
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Applications
DescriptionTrimethoquinol is a β-sympathomimetic agent that inhibits the aggregation of platelets.
Suppliers1 total
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Additional notes
DefinitionChEBI: Tretoquinol is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…