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Home > Quinoline > 1032822-42-6
1032822-42-6 | 1-(3,4-Dihydro-7-hydroxy-6-methoxy-2(1H)-isoquinolinyl)-1-propanone
CAS No: 1032822-42-6 Catalog No: AG01DZEE MDL No:
Product Description
Catalog Number:
AG01DZEE
Chemical Name:
1-(3,4-Dihydro-7-hydroxy-6-methoxy-2(1H)-isoquinolinyl)-1-propanone
CAS Number:
1032822-42-6
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
1-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
InChI:
InChI=1S/C13H17NO3/c1-3-13(16)14-5-4-9-7-12(17-2)11(15)6-10(9)8-14/h6-7,15H,3-5,8H2,1-2H3
InChI Key:
BEDYMEDICHGLSE-UHFFFAOYSA-N
SMILES:
CCC(=O)N1CCc2c(C1)cc(c(c2)OC)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| A novel compound PTIQ protects the nigral dopaminergic neurones in an animal model of Parkinson's disease induced by MPTP. | British journal of pharmacology 20120401 |
| Syntheses of tetrahydroisoquinoline derivatives that inhibit NO production in activated BV-2 microglial cells. | European journal of medicinal chemistry 20080601 |
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