1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

• ChemBase ID: 72992
• Molecular Formular: C20H26ClNO4
• Molecular Mass: 379.87774
• Monoisotopic Mass: 379.155036
• SMILES: c1(c(cc2c(c1)CCNC2Cc1ccc(c(c1)OC)OC)OC)OC.Cl
• Canonical SMILES: COc1cc(ccc1OC)CC1NCCc2c1cc(OC)c(c2)OC.Cl
• InChI: InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H
• InChIKey: VMPLLPIDRGXFTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
• IUPAC Traditional name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
• Synonyms: Tetrahydropapaverine hydrochloride; Tetrahydropapaverine hydrochloride; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Database IDs

• CAS Number: 6429-04-5
• MDL Number: MFCD00035267
• PubChem SID: 162037912
• PubChem CID: 16667431

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.11081835
• LogD (pH = 7.4): 1.1754836
• Log P: 3.0136995
• Molar Refractivity: 97.5062 cm^3
• Polarizability: 37.99663 Å^3
• Polar Surface Area: 48.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C
• Storage Warning: Toxic

Product Information

• Purity: 95+%
• Salt Data: hydrochloride

DETAILS

Selleck Chemicals - S2367

Research Area: Neurological Disease
Biological Activity:
Tetrahydropapaverine, one of the TIQs and an analogue of salsolinol and tetrahydropapaveroline, has been reported to have neurotoxic effects on dopamine neurons. [1]

REFERENCES

• Kim EI, Kang MH, Lee MK. Life Sci. 2004 Sep 3;75(16):1949-57