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6957-27-3 | 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CAS No: 6957-27-3 Catalog No: AG019FWD MDL No:MFCD00086310
Product Description
Catalog Number:
AG019FWD
Chemical Name:
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CAS Number:
6957-27-3
Molecular Formula:
C20H23NO4
Molecular Weight:
341.4009
MDL Number:
MFCD00086310
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
InChI:
InChI=1S/C20H23NO4/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/h5-6,10-12H,7-9H2,1-4H3
InChI Key:
UCJDFFOXXPPGLJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC1=NCCc2c1cc(OC)c(c2)OC
EC Number:
230-148-3
UNII:
O54G4546NJ
NSC Number:
66154
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.407g/mol
Monoisotopic Mass:
341.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Screening pharmacological studies of four dihydroisoquinoline derivatives. | Acta physiologica et pharmacologica Bulgarica 19790101 |
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