CAS 138666-04-3

1,2-Benzenediol, 4-[(1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-1-isoquinolinyl)methyl]-, hydrochloride, (S)-

Description:

1,2-Benzenediol, 4-[(1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-1-isoquinolinyl)methyl]-, hydrochloride, (S)-, is a chemical compound characterized by its complex structure, which includes a benzenediol moiety and a tetrahydroisoquinoline derivative. This compound is typically encountered as a hydrochloride salt, enhancing its solubility in aqueous solutions. The presence of hydroxyl and methoxy groups contributes to its potential biological activity, possibly influencing its interaction with various biological targets. The (S)- designation indicates that it is a chiral molecule, with specific stereochemistry that may affect its pharmacological properties. This compound may be of interest in medicinal chemistry and pharmacology, particularly for its potential therapeutic applications. Its CAS number, 138666-04-3, allows for precise identification in chemical databases. As with many organic compounds, its stability, reactivity, and solubility can vary based on environmental conditions and the presence of other substances. Further studies would be necessary to fully elucidate its properties and potential uses in various fields.

Formula: C₁₇H₁₉NO₄·ClH

InChI: InChI=1S/C17H19NO4.ClH/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10;/h2-3,7-9,13,18-21H,4-6H2,1H3;1H/t13-;/m0./s1

InChI key: InChIKey=OKCJQWKOEORQET-ZOWNYOTGSA-N

SMILES: C([C@H]1C=2C(=CC(OC)=C(O)C2)CCN1)C3=CC(O)=C(O)C=C3.Cl

Synonyms:

• 1,2-Benzenediol, 4-[(1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-1-isoquinolinyl)methyl]-, hydrochloride, (S)-

(S)-3’-Hydroxycoclaurine Hydrochloride

Controlled Product

CAS: 138666-04-3

Applications (S)-3’-Hydroxycoclaurine Hydrochloride is a metabolite of Coclaurine (C633550), a benzyltetrahydroisoquinoline alkaloid extracted from Magnolia salicifolia.
References He, X.S., et al.: Helvetica. Chimica. Acta., 74, 1399 (1991);

Formula: C₁₇H₂₀ClNO₄

Color and Shape: Neat

Molecular weight: 337.8

Ref: TR-H924450

(S)-3’-Hydroxycoclaurine hydrochloride

CAS: 138666-04-3

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Formula: C₁₇H₂₀ClNO₄

Purity: Min. 95%

Molecular weight: 337.8 g/mol

Ref: 3D-NFA66604