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21965-73-1 | 9,10-bis(benzyloxy)-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
CAS No: 21965-73-1 Catalog No: AG00BHIL MDL No:
Product Description
Catalog Number:
AG00BHIL
Chemical Name:
9,10-bis(benzyloxy)-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
CAS Number:
21965-73-1
IUPAC Name:
3-(2-methylpropyl)-9,10-bis(phenylmethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
InChI:
InChI=1S/C31H35NO3/c1-22(2)15-26-19-32-14-13-25-16-30(34-20-23-9-5-3-6-10-23)31(17-27(25)28(32)18-29(26)33)35-21-24-11-7-4-8-12-24/h3-12,16-17,22,26,28H,13-15,18-21H2,1-2H3
InChI Key:
RKPMDZYYKQCAOQ-UHFFFAOYSA-N
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.262g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.625g/mol
Monoisotopic Mass:
469.262g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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