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135096-78-5 | Hydroquinine-9-phenanthryl ether
CAS No: 135096-78-5 Catalog No: AG003QYX MDL No:
Product Description
Catalog Number:
AG003QYX
Chemical Name:
Hydroquinine-9-phenanthryl ether
CAS Number:
135096-78-5
IUPAC Name:
4-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-phenanthren-9-yloxymethyl]-6-methoxyquinoline
InChI:
InChI=1S/C34H34N2O2/c1-3-22-21-36-17-15-23(22)18-32(36)34(29-14-16-35-31-13-12-25(37-2)20-30(29)31)38-33-19-24-8-4-5-9-26(24)27-10-6-7-11-28(27)33/h4-14,16,19-20,22-23,32,34H,3,15,17-18,21H2,1-2H3/t22-,23-,32-,34+/m0/s1
InChI Key:
TWOVHUYOMTVDRB-BDCWUMDOSA-N
Properties
Complexity:
790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
502.262g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
502.658g/mol
Monoisotopic Mass:
502.262g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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