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115514-85-7 | 7-Isoquinolinol, 6-chloro-1,2,3,4-tetrahydro-1-phenyl-, (R)- (9CI)
CAS No: 115514-85-7 Catalog No: AG000G3U MDL No:
Product Description
Catalog Number:
AG000G3U
Chemical Name:
7-Isoquinolinol, 6-chloro-1,2,3,4-tetrahydro-1-phenyl-, (R)- (9CI)
CAS Number:
115514-85-7
Molecular Formula:
C15H14ClNO
Molecular Weight:
259.7308
IUPAC Name:
6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
InChI:
InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2
InChI Key:
VXQGSKLYCJFAKI-UHFFFAOYSA-N
SMILES:
Clc1cc2CCN[C@@H](c2cc1O)c1ccccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.733g/mol
Monoisotopic Mass:
259.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Tetrahydroisoquinolines as dopaminergic ligands: 1-Butyl-7-chloro-6-hydroxy-tetrahydroisoquinoline, a new compound with antidepressant-like activity in mice. | Bioorganic & medicinal chemistry 20090715 |
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