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4370-85-8 | (R)-6,7-Dimethoxy-3β-[[(5R,6R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin]-5-yl]isobenzofuran-1(3H)-one
CAS No: 4370-85-8 Catalog No: AG00DZKY MDL No:
Product Description
Catalog Number:
AG00DZKY
Chemical Name:
(R)-6,7-Dimethoxy-3β-[[(5R,6R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin]-5-yl]isobenzofuran-1(3H)-one
CAS Number:
4370-85-8
IUPAC Name:
(3R)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
InChI:
InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m1/s1
InChI Key:
JZUTXVTYJDCMDU-RTBURBONSA-N
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
383.137g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.4g/mol
Monoisotopic Mass:
383.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Expanding the repertoire of small molecule transcriptional activation domains. | Bioorganic & medicinal chemistry 20090201 |
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