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Home > Indoles and Oxindole > 886046-46-4
886046-46-4 | 3-Butyl-2-[3-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1-propen-1-yl]-1,1-dimethyl-1H-benz[e]indolium iodide
CAS No: 886046-46-4 Catalog No: AG00GV7M MDL No:
Product Description
Catalog Number:
AG00GV7M
Chemical Name:
3-Butyl-2-[3-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1-propen-1-yl]-1,1-dimethyl-1H-benz[e]indolium iodide
CAS Number:
886046-46-4
IUPAC Name:
(2E)-3-butyl-2-[(E)-3-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]-1,1-dimethylbenzo[e]indole;iodide
InChI:
InChI=1S/C39H45N2.HI/c1-7-9-26-40-32-24-22-28-16-11-13-18-30(28)36(32)38(3,4)34(40)20-15-21-35-39(5,6)37-31-19-14-12-17-29(31)23-25-33(37)41(35)27-10-8-2;/h11-25H,7-10,26-27H2,1-6H3;1H/q+1;/p-1
InChI Key:
HWWGFJINQTYLLX-UHFFFAOYSA-M
Properties
Complexity:
935
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
668.263g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
668.707g/mol
Monoisotopic Mass:
668.263g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of carbocyanine dyes as PRMT inhibitors and imaging agents. | European journal of medicinal chemistry 20120801 |
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