Tretoquinol

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Systematic / IUPAC Name: (1S)-1-(3,4,5-Trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol

ID: Reference7254

Other Names: Tretochinolo;
(1S)-1-[(3,4,5-Trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;
(1S)-1-{[3,4,5-Tris(methyloxy)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-6,7-diol;
1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxybenzyl)-6,7-isoquinolinediol;
Tretoquinolum

Formula: C19H23NO5

Class: Therapeutics/Prescription Drugs

Spectral Data

Tretoquinol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/12/2018 1:17:44 PM
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Identificators

InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/t14-/m0/s1
InChI Key RGVPOXRFEPSFGH-AWEZNQCLSA-N
Canonical SMILES COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2)O)O
CAS
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Other Names Tretochinolo;
(1S)-1-[(3,4,5-Trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;
(1S)-1-{[3,4,5-Tris(methyloxy)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-6,7-diol;
1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxybenzyl)-6,7-isoquinolinediol;
Tretoquinolum

In Other Databases

ChemIDPlus 030418383
PubChem 65772
Wikipedia Tretoquinol
KEGG D08629
ChEMBL CHEMBL174984
ChemSpider 59192