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Home > Quinoline > 113718-66-4
113718-66-4 | Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-7-(methoxy-d3)- (9CI)
CAS No: 113718-66-4 Catalog No: AG0009GN MDL No:
Product Description
Catalog Number:
AG0009GN
Chemical Name:
Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-7-(methoxy-d3)- (9CI)
CAS Number:
113718-66-4
Molecular Formula:
C20H18D3NO4
Molecular Weight:
342.4035
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-6-(trideuteriomethoxy)isoquinoline;hydrochloride
InChI:
InChI=1S/C20H21NO4.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;/h5-8,10-12H,9H2,1-4H3;1H/i3D3;
InChI Key:
UOTMYNBWXDUBNX-FJCVKDQNSA-N
SMILES:
COc1ccc(cc1OC)Cc1nccc2c1cc(OC([2H])([2H])[2H])c(c2)OC
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
378.867g/mol
Monoisotopic Mass:
378.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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