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478614-53-8 | 1-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-3-(3-METHOXYPHENOXY)PROPAN-2-OL HYDRO+
CAS No: 478614-53-8 Catalog No: AG01AQ3M MDL No:MFCD02220750
Product Description
Catalog Number:
AG01AQ3M
Chemical Name:
1-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-3-(3-METHOXYPHENOXY)PROPAN-2-OL HYDRO+
CAS Number:
478614-53-8
Molecular Formula:
C19H24ClNO3
Molecular Weight:
349.8518
MDL Number:
MFCD02220750
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
InChI:
InChI=1S/C19H23NO3.ClH/c1-22-18-7-4-8-19(11-18)23-14-17(21)13-20-10-9-15-5-2-3-6-16(15)12-20;/h2-8,11,17,21H,9-10,12-14H2,1H3;1H
InChI Key:
MLYBGWLAWINHNU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)OCC(CN1CCc2c(C1)cccc2)O.Cl
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.144g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.855g/mol
Monoisotopic Mass:
349.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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