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30798-64-2

30798-64-2 | 7-Isoquinolinol, 1,2,3,4-tetrahydro-

CAS No: 30798-64-2 Catalog No: AG0031BA MDL No:MFCD08234812

Product Description

Catalog Number:
AG0031BA
Chemical Name:
7-Isoquinolinol, 1,2,3,4-tetrahydro-
CAS Number:
30798-64-2
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD08234812
IUPAC Name:
1,2,3,4-tetrahydroisoquinolin-7-ol
InChI:
InChI=1S/C9H11NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10-11H,3-4,6H2
InChI Key:
RADQTHXRZJGDQI-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CNCC2

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Literature

Title Journal
Identification of (3R)-7-hydroxy-N-((1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)- 3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl)-1,2,3,4-tetrahydro- 3-isoquinolinecarboxamide as a novel potent and selective opioid kappa receptor antagonist. Journal of medicinal chemistry 20030703

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