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88524-56-5 | (1r)-1-[4-(5-{[(1r)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-hydroxyphenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CAS No: 88524-56-5 Catalog No: AG00481T MDL No:
Product Description
Catalog Number:
AG00481T
Chemical Name:
(1r)-1-[4-(5-{[(1r)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-hydroxyphenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CAS Number:
88524-56-5
Molecular Formula:
C37H42N2O6
Molecular Weight:
610.7392
IUPAC Name:
(1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
InChI:
InChI=1S/C37H42N2O6/c1-38-14-12-25-19-34(42-3)33(41)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
InChI Key:
VMGXSDYPKKPINM-FIRIVFDPSA-N
SMILES:
COc1cc2c(cc1OC)CCN([C@@H]2Cc1ccc(c(c1)Oc1ccc(cc1)C[C@H]1N(C)CCc2c1cc(O)c(c2)OC)O)C
Properties
Complexity:
917
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
610.304g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
610.751g/mol
Monoisotopic Mass:
610.304g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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