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126874-79-1 | 4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-, (6aR)-
CAS No: 126874-79-1 Catalog No: AG000TEP MDL No:
Product Description
Catalog Number:
AG000TEP
Chemical Name:
4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-, (6aR)-
CAS Number:
126874-79-1
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
InChI:
InChI=1S/C18H19NO3/c1-19-6-5-11-7-12(22-2)9-13-16(11)14(19)8-10-3-4-15(20)18(21)17(10)13/h3-4,7,9,14,20-21H,5-6,8H2,1-2H3/t14-/m1/s1
InChI Key:
QGJWYJSOGNAUCY-CQSZACIVSA-N
SMILES:
COc1cc2CCN([C@H]3c2c(c1)c1c(C3)ccc(c1O)O)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and neuropharmacological characterization of 2-O-substituted apomorphines. | Bioorganic & medicinal chemistry 20080415 |
| Synthesis and dopamine receptor affinities of N-alkyl-11-hydroxy-2-methoxynoraporphines: N-alkyl substituents determine D1 versus D2 receptor selectivity. | Journal of medicinal chemistry 20080227 |
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