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93767-29-4 | [1,1'-Biphenyl]-3-carboxaldehyde, 6-hydroxy-2'-methoxy-5'-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-oxo-7-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]-
CAS No: 93767-29-4 Catalog No: AG006EA0 MDL No:
Product Description
Catalog Number:
AG006EA0
Chemical Name:
[1,1'-Biphenyl]-3-carboxaldehyde, 6-hydroxy-2'-methoxy-5'-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-oxo-7-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]-
CAS Number:
93767-29-4
Molecular Formula:
C37H38N2O8
Molecular Weight:
638.7062
IUPAC Name:
4-hydroxy-3-[5-[[(1S)-7-hydroxy-6-methoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenyl]benzaldehyde
InChI:
InChI=1S/C37H38N2O8/c1-38-12-11-24-18-33(46-5)35(42)36(47-32-19-25-23(17-31(32)45-4)10-13-39(2)37(25)43)34(24)28(38)16-21-7-9-30(44-3)27(14-21)26-15-22(20-40)6-8-29(26)41/h6-9,14-15,17-20,28,41-42H,10-13,16H2,1-5H3/t28-/m0/s1
InChI Key:
ZOBAYWQPWZMJPP-NDEPHWFRSA-N
SMILES:
O=Cc1ccc(c(c1)c1cc(ccc1OC)C[C@@H]1N(C)CCc2c1c(Oc1cc3c(cc1OC)CCN(C3=O)C)c(c(c2)OC)O)O
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
638.263g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
638.717g/mol
Monoisotopic Mass:
638.263g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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