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Home > Quinoline > 1609402-93-8
1609402-93-8 | 6,7-dimethoxy-1-(3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline oxalate
CAS No: 1609402-93-8 Catalog No: AG00J3BB MDL No:MFCD13194025
Product Description
Catalog Number:
AG00J3BB
Chemical Name:
6,7-dimethoxy-1-(3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline oxalate
CAS Number:
1609402-93-8
Molecular Formula:
C18H20N2O6
Molecular Weight:
360.3612
MDL Number:
MFCD13194025
IUPAC Name:
6,7-dimethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline;oxalic acid
InChI:
InChI=1S/C16H18N2O2.C2H2O4/c1-19-14-8-11-5-7-18-16(12-4-3-6-17-10-12)13(11)9-15(14)20-2;3-1(4)2(5)6/h3-4,6,8-10,16,18H,5,7H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
FABUSQFFBYHBHX-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.COc1cc2c(cc1OC)CCNC2c1cccnc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
360.366g/mol
Monoisotopic Mass:
360.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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