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107256-99-5 | tamoxifen methiodide
CAS No: 107256-99-5 Catalog No: AG009TAS MDL No:
Product Description
Catalog Number:
AG009TAS
Chemical Name:
tamoxifen methiodide
CAS Number:
107256-99-5
IUPAC Name:
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-trimethylazanium;iodide
InChI:
InChI=1S/C27H32NO.HI/c1-5-26(22-12-8-6-9-13-22)27(23-14-10-7-11-15-23)24-16-18-25(19-17-24)29-21-20-28(2,3)4;/h6-19H,5,20-21H2,1-4H3;1H/q+1;/p-1/b27-26-;
InChI Key:
PXJJOGITBQXZEQ-JTHROIFXSA-M
NSC Number:
630510
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
513.153g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
513.463g/mol
Monoisotopic Mass:
513.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Genomic action of permanently charged tamoxifen derivatives via estrogen receptor-alpha. | Bioorganic & medicinal chemistry 20100801 |
| Water diffusion in the different microenvironments of breast cancer. | NMR in biomedicine 20040601 |
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