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Home > Indoles and Oxindole > 53948-10-0
53948-10-0 | 1,2,9-Trimethoxydibenz[cd,f]indol-4(5H)-one
CAS No: 53948-10-0 Catalog No: AG003ANJ MDL No:MFCD17214799
Product Description
Catalog Number:
AG003ANJ
Chemical Name:
1,2,9-Trimethoxydibenz[cd,f]indol-4(5H)-one
CAS Number:
53948-10-0
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
MDL Number:
MFCD17214799
IUPAC Name:
4,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
InChI:
InChI=1S/C18H15NO4/c1-21-10-5-4-9-6-13-15-12(18(20)19-13)8-14(22-2)17(23-3)16(15)11(9)7-10/h4-8H,1-3H3,(H,19,20)
InChI Key:
OQKGOEOSXXHWFQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)[nH]c3=O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis of aristolactam analogues and evaluation of their antitumor activity. | Bioorganic & medicinal chemistry letters 20090601 |
| Discovery and synthesis of new immunosuppressive alkaloids from the stem of Fissistigma oldhamii (Hemsl.) Merr. | Bioorganic & medicinal chemistry 20070115 |
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