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21040-59-5 | 7-Isoquinolinol, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, (1S)-
CAS No: 21040-59-5 Catalog No: AG002KR3 MDL No:
Product Description
Catalog Number:
AG002KR3
Chemical Name:
7-Isoquinolinol, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, (1S)-
CAS Number:
21040-59-5
Molecular Formula:
C20H25NO4
Molecular Weight:
343.4168
IUPAC Name:
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
InChI:
InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1
InChI Key:
OKORHWXYDBSYNO-INIZCTEOSA-N
SMILES:
COc1cc2CCN([C@H](c2cc1O)Cc1ccc(c(c1)OC)OC)C
EC Number:
244-165-9
UNII:
392KD8X3P8
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
343.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.423g/mol
Monoisotopic Mass:
343.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Bioactive constituents of the roots of Polyalthia cerasoides. | Journal of natural products 20070901 |
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