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14510-48-6 | [8,8'-Biisoquinoline]-7,7'-diol, 1,1',2,2',3,3',4,4'-octahydro-6,6'-dimethoxy-2,2'-dimethyl-
CAS No: 14510-48-6 Catalog No: AG001KK7 MDL No:
Product Description
Catalog Number:
AG001KK7
Chemical Name:
[8,8'-Biisoquinoline]-7,7'-diol, 1,1',2,2',3,3',4,4'-octahydro-6,6'-dimethoxy-2,2'-dimethyl-
CAS Number:
14510-48-6
Molecular Formula:
C22H28N2O4
Molecular Weight:
384.4687
IUPAC Name:
8-(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
InChI:
InChI=1S/C22H28N2O4/c1-23-7-5-13-9-17(27-3)21(25)19(15(13)11-23)20-16-12-24(2)8-6-14(16)10-18(28-4)22(20)26/h9-10,25-26H,5-8,11-12H2,1-4H3
InChI Key:
IGKVQCQCYJDVAM-UHFFFAOYSA-N
SMILES:
COc1cc2CCN(Cc2c(c1O)c1c2CN(C)CCc2cc(c1O)OC)C
NSC Number:
131725
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.205g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.476g/mol
Monoisotopic Mass:
384.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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