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3947-79-3 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline iodide
CAS No: 3947-79-3 Catalog No: AG007936 MDL No:
Product Description
Catalog Number:
AG007936
Chemical Name:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline iodide
CAS Number:
3947-79-3
Molecular Formula:
C21H27INO4-
Molecular Weight:
484.3478
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium;iodide
InChI:
InChI=1S/C21H26NO4.HI/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3;/h6-7,11-13H,8-10H2,1-5H3;1H/q+1;/p-1
InChI Key:
NVQXCYSLJOYHMH-UHFFFAOYSA-M
SMILES:
COc1cc(ccc1OC)CC1N(C)CCc2c1cc(OC)c(c2)OC.[I-]
NSC Number:
141522
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.091g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
483.346g/mol
Monoisotopic Mass:
483.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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