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35470-49-6 | 5,5',6,6'-Tetrahydro-3,3'-dihydroxy-2,2',9,9',10,10'-hexamethoxy-4,4'-bi[dibenzo[a,g]quinolizinium]
CAS No: 35470-49-6 Catalog No: AG00D28V MDL No:
Product Description
Catalog Number:
AG00D28V
Chemical Name:
5,5',6,6'-Tetrahydro-3,3'-dihydroxy-2,2',9,9',10,10'-hexamethoxy-4,4'-bi[dibenzo[a,g]quinolizinium]
CAS Number:
35470-49-6
IUPAC Name:
2,9,10-trimethoxy-4-(2,9,10-trimethoxy-3-oxo-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-4-yl)-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-one
InChI:
InChI=1S/C40H36N2O8/c1-45-31-9-7-21-15-29-25-17-33(47-3)37(43)35(23(25)11-13-41(29)19-27(21)39(31)49-5)36-24-12-14-42-20-28-22(8-10-32(46-2)40(28)50-6)16-30(42)26(24)18-34(48-4)38(36)44/h7-10,15-20H,11-14H2,1-6H3/p+2
InChI Key:
NHXZRJFEZGSGMU-UHFFFAOYSA-P
Properties
Complexity:
1990
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
674.263g/mol
Formal Charge:
2
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
674.75g/mol
Monoisotopic Mass:
674.263g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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