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13074-31-2 | Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS No: 13074-31-2 Catalog No: AG000UW7 MDL No:MFCD00800719
Product Description
Catalog Number:
AG000UW7
Chemical Name:
Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS Number:
13074-31-2
Molecular Formula:
C20H25NO4
Molecular Weight:
343.4168
MDL Number:
MFCD00800719
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C20H25NO4/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
InChI Key:
YXWQTVWJNHKSCC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC1NCCc2c1cc(OC)c(c2)OC
EC Number:
235-968-5
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.423g/mol
Monoisotopic Mass:
343.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism. | The Journal of biological chemistry 20161104 |
| Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. | Bioorganic & medicinal chemistry 20121115 |
| Synthesis and biological evaluation of a series of 6,7-dimethoxy-1-(3,4-dimethoxybenzyl)-2-substituted tetrahydroisoquinoline derivatives. | Medicinal chemistry (Shariqah (United Arab Emirates)) 20120701 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Inhibitory effects of tetrahydropapaverine on serotonin biosynthesis in murine mastocytoma P815 cells. | Life sciences 20040903 |
| Protective effects of quinic acid derivatives on tetrahydropapaveroline-induced cell death in C6 glioma cells. | Biological & pharmaceutical bulletin 20030601 |
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